(3-chloro-4-fluorophenyl)-[4-[[[6-(furan-2-yl)-2-pyridinyl]methylamino]methyl]piperidin-1-yl]methanone;(3-chloro-4-fluorophenyl)-[4-[[[6-(1,3-oxazol-5-yl)-2-pyridinyl]methylamino]methyl]piperidin-1-yl]methanone;(3-chloro-4-fluorophenyl)-[4-[[(6-pyrazol-1-yl-2-pyridinyl)methylamino]methyl]piperidin-1-yl]methanone;(3,4-dichlorophenyl)-[4-[[[6-(1,3-oxazol-5-yl)-2-pyridinyl]methylamino]methyl]piperidin-1-yl]methanone;(3,4-dichlorophenyl)-[4-[[(6-pyrazol-1-yl-2-pyridinyl)methylamino]methyl]piperidin-1-yl]methanone;[4-[[[6-(dimethylamino)-5-methyl-2-pyridinyl]methylamino]methyl]-4-fluoropiperidin-1-yl]-phenylmethanone;[4-[[[6-(1,3-oxazol-5-yl)-2-pyridinyl]methylamino]methyl]piperidin-1-yl]-phenylmethanone;phenyl-[4-[[(6-pyrazol-1-yl-2-pyridinyl)methylamino]methyl]piperidin-1-yl]methanone

C177H191Cl7F4N34O12 — CID 161035575

IUPAC(3-chloro-4-fluorophenyl)-[4-[[[6-(furan-2-yl)-2-pyridinyl]methylamino]methyl]piperidin-1-yl]methanone;(3-chloro-4-fluorophenyl)-[4-[[[6-(1,3-oxazol-5-yl)-2-pyridinyl]methylamino]methyl]piperidin-1-yl]methanone;(3-chloro-4-fluorophenyl)-[4-[[(6-pyrazol-1-yl-2-pyridinyl)methylamino]methyl]piperidin-1-yl]methanone;(3,4-dichlorophenyl)-[4-[[[6-(1,3-oxazol-5-yl)-2-pyridinyl]methylamino]methyl]piperidin-1-yl]methanone;(3,4-dichlorophenyl)-[4-[[(6-pyrazol-1-yl-2-pyridinyl)methylamino]methyl]piperidin-1-yl]methanone;[4-[[[6-(dimethylamino)-5-methyl-2-pyridinyl]methylamino]methyl]-4-fluoropiperidin-1-yl]-phenylmethanone;[4-[[[6-(1,3-oxazol-5-yl)-2-pyridinyl]methylamino]methyl]piperidin-1-yl]-phenylmethanone;phenyl-[4-[[(6-pyrazol-1-yl-2-pyridinyl)methylamino]methyl]piperidin-1-yl]methanone
SMILESCc1ccc(CNCC2(F)CCN(C(=O)c3ccccc3)CC2)nc1N(C)C.O=C(c1ccc(Cl)c(Cl)c1)N1CCC(CNCc2cccc(-c3cnco3)n2)CC1.O=C(c1ccc(Cl)c(Cl)c1)N1CCC(CNCc2cccc(-n3cccn3)n2)CC1.O=C(c1ccc(F)c(Cl)c1)N1CCC(CNCc2cccc(-c3ccco3)n2)CC1.O=C(c1ccc(F)c(Cl)c1)N1CCC(CNCc2cccc(-c3cnco3)n2)CC1.O=C(c1ccc(F)c(Cl)c1)N1CCC(CNCc2cccc(-n3cccn3)n2)CC1.O=C(c1ccccc1)N1CCC(CNCc2cccc(-c3cnco3)n2)CC1.O=C(c1ccccc1)N1CCC(CNCc2cccc(-n3cccn3)n2)CC1
InChIInChI=1S/C23H23ClFN3O2.C22H23Cl2N5O.C22H22Cl2N4O2.C22H23ClFN5O.C22H22ClFN4O2.C22H29FN4O.C22H25N5O.C22H24N4O2/c24-19-13-17(6-7-20(19)25)23(29)28-10-8-16(9-11-28)14-26-15-18-3-1-4-21(27-18)22-5-2-12-30-22;23-19-6-5-17(13-20(19)24)22(30)28-11-7-16(8-12-28)14-25-15-18-3-1-4-21(27-18)29-10-2-9-26-29;23-18-5-4-16(10-19(18)24)22(29)28-8-6-15(7-9-28)11-25-12-17-2-1-3-20(27-17)21-13-26-14-30-21;23-19-13-17(5-6-20(19)24)22(30)28-11-7-16(8-12-28)14-25-15-18-3-1-4-21(27-18)29-10-2-9-26-29;23-18-10-16(4-5-19(18)24)22(29)28-8-6-15(7-9-28)11-25-12-17-2-1-3-20(27-17)21-13-26-14-30-21;1-17-9-10-19(25-20(17)26(2)3)15-24-16-22(23)11-13-27(14-12-22)21(28)18-7-5-4-6-8-18;28-22(19-6-2-1-3-7-19)26-14-10-18(11-15-26)16-23-17-20-8-4-9-21(25-20)27-13-5-12-24-27;27-22(18-5-2-1-3-6-18)26-11-9-17(10-12-26)13-23-14-19-7-4-8-20(25-19)21-15-24-16-28-21/h1-7,12-13,16,26H,8-11,14-15H2;1-6,9-10,13,16,25H,7-8,11-12,14-15H2;1-5,10,13-15,25H,6-9,11-12H2;1-6,9-10,13,16,25H,7-8,11-12,14-15H2;1-5,10,13-15,25H,6-9,11-12H2;4-10,24H,11-16H2,1-3H3;1-9,12-13,18,23H,10-11,14-17H2;1-8,15-17,23H,9-14H2
InChIKeyUAFBFVNCIMBWQA-UHFFFAOYSA-N
MW3310.86 g/mol
LogP31.03
Rot. Bonds48

About (3-chloro-4-fluorophenyl)-[4-[[[6-(furan-2-yl)-2-pyridinyl]methylamino]methyl]piperidin-1-yl]methanone;(3-chloro-4-fluorophenyl)-[4-[[[6-(1,3-oxazol-5-yl)-2-pyridinyl]methylamino]methyl]piperidin-1-yl]methanone;(3-chloro-4-fluorophenyl)-[4-[[(6-pyrazol-1-yl-2-pyridinyl)methylamino]methyl]piperidin-1-yl]methanone;(3,4-dichlorophenyl)-[4-[[[6-(1,3-oxazol-5-yl)-2-pyridinyl]methylamino]methyl]piperidin-1-yl]methanone;(3,4-dichlorophenyl)-[4-[[(6-pyrazol-1-yl-2-pyridinyl)methylamino]methyl]piperidin-1-yl]methanone;[4-[[[6-(dimethylamino)-5-methyl-2-pyridinyl]methylamino]methyl]-4-fluoropiperidin-1-yl]-phenylmethanone;[4-[[[6-(1,3-oxazol-5-yl)-2-pyridinyl]methylamino]methyl]piperidin-1-yl]-phenylmethanone;phenyl-[4-[[(6-pyrazol-1-yl-2-pyridinyl)methylamino]methyl]piperidin-1-yl]methanone

(3-chloro-4-fluorophenyl)-[4-[[[6-(furan-2-yl)-2-pyridinyl]methylamino]methyl]piperidin-1-yl]methanone;(3-chloro-4-fluorophenyl)-[4-[[[6-(1,3-oxazol-5-yl)-2-pyridinyl]methylamino]methyl]piperidin-1-yl]methanone;(3-chloro-4-fluorophenyl)-[4-[[(6-pyrazol-1-yl-2-pyridinyl)methylamino]methyl]piperidin-1-yl]methanone;(3,4-dichlorophenyl)-[4-[[[6-(1,3-oxazol-5-yl)-2-pyridinyl]methylamino]methyl]piperidin-1-yl]methanone;(3,4-dichlorophenyl)-[4-[[(6-pyrazol-1-yl-2-pyridinyl)methylamino]methyl]piperidin-1-yl]methanone;[4-[[[6-(dimethylamino)-5-methyl-2-pyridinyl]methylamino]methyl]-4-fluoropiperidin-1-yl]-phenylmethanone;[4-[[[6-(1,3-oxazol-5-yl)-2-pyridinyl]methylamino]methyl]piperidin-1-yl]-phenylmethanone;phenyl-[4-[[(6-pyrazol-1-yl-2-pyridinyl)methylamino]methyl]piperidin-1-yl]methanone (PubChem CID 161035575) has the molecular formula C177H191Cl7F4N34O12 and a molecular weight of 3310.86 g/mol. Its IUPAC name is (3-chloro-4-fluorophenyl)-[4-[[[6-(furan-2-yl)-2-pyridinyl]methylamino]methyl]piperidin-1-yl]methanone;(3-chloro-4-fluorophenyl)-[4-[[[6-(1,3-oxazol-5-yl)-2-pyridinyl]methylamino]methyl]piperidin-1-yl]methanone;(3-chloro-4-fluorophenyl)-[4-[[(6-pyrazol-1-yl-2-pyridinyl)methylamino]methyl]piperidin-1-yl]methanone;(3,4-dichlorophenyl)-[4-[[[6-(1,3-oxazol-5-yl)-2-pyridinyl]methylamino]methyl]piperidin-1-yl]methanone;(3,4-dichlorophenyl)-[4-[[(6-pyrazol-1-yl-2-pyridinyl)methylamino]methyl]piperidin-1-yl]methanone;[4-[[[6-(dimethylamino)-5-methyl-2-pyridinyl]methylamino]methyl]-4-fluoropiperidin-1-yl]-phenylmethanone;[4-[[[6-(1,3-oxazol-5-yl)-2-pyridinyl]methylamino]methyl]piperidin-1-yl]-phenylmethanone;phenyl-[4-[[(6-pyrazol-1-yl-2-pyridinyl)methylamino]methyl]piperidin-1-yl]methanone.

Molecular Properties

Compound Name(3-chloro-4-fluorophenyl)-[4-[[[6-(furan-2-yl)-2-pyridinyl]methylamino]methyl]piperidin-1-yl]methanone;(3-chloro-4-fluorophenyl)-[4-[[[6-(1,3-oxazol-5-yl)-2-pyridinyl]methylamino]methyl]piperidin-1-yl]methanone;(3-chloro-4-fluorophenyl)-[4-[[(6-pyrazol-1-yl-2-pyridinyl)methylamino]methyl]piperidin-1-yl]methanone;(3,4-dichlorophenyl)-[4-[[[6-(1,3-oxazol-5-yl)-2-pyridinyl]methylamino]methyl]piperidin-1-yl]methanone;(3,4-dichlorophenyl)-[4-[[(6-pyrazol-1-yl-2-pyridinyl)methylamino]methyl]piperidin-1-yl]methanone;[4-[[[6-(dimethylamino)-5-methyl-2-pyridinyl]methylamino]methyl]-4-fluoropiperidin-1-yl]-phenylmethanone;[4-[[[6-(1,3-oxazol-5-yl)-2-pyridinyl]methylamino]methyl]piperidin-1-yl]-phenylmethanone;phenyl-[4-[[(6-pyrazol-1-yl-2-pyridinyl)methylamino]methyl]piperidin-1-yl]methanone
PubChem CID161035575
Molecular FormulaC177H191Cl7F4N34O12
Molecular Weight3310.86 g/mol
Exact Mass3305.31
IUPAC Name(3-chloro-4-fluorophenyl)-[4-[[[6-(furan-2-yl)-2-pyridinyl]methylamino]methyl]piperidin-1-yl]methanone;(3-chloro-4-fluorophenyl)-[4-[[[6-(1,3-oxazol-5-yl)-2-pyridinyl]methylamino]methyl]piperidin-1-yl]methanone;(3-chloro-4-fluorophenyl)-[4-[[(6-pyrazol-1-yl-2-pyridinyl)methylamino]methyl]piperidin-1-yl]methanone;(3,4-dichlorophenyl)-[4-[[[6-(1,3-oxazol-5-yl)-2-pyridinyl]methylamino]methyl]piperidin-1-yl]methanone;(3,4-dichlorophenyl)-[4-[[(6-pyrazol-1-yl-2-pyridinyl)methylamino]methyl]piperidin-1-yl]methanone;[4-[[[6-(dimethylamino)-5-methyl-2-pyridinyl]methylamino]methyl]-4-fluoropiperidin-1-yl]-phenylmethanone;[4-[[[6-(1,3-oxazol-5-yl)-2-pyridinyl]methylamino]methyl]piperidin-1-yl]-phenylmethanone;phenyl-[4-[[(6-pyrazol-1-yl-2-pyridinyl)methylamino]methyl]piperidin-1-yl]methanone
SMILESCc1ccc(CNCC2(F)CCN(C(=O)c3ccccc3)CC2)nc1N(C)C.O=C(c1ccc(Cl)c(Cl)c1)N1CCC(CNCc2cccc(-c3cnco3)n2)CC1.O=C(c1ccc(Cl)c(Cl)c1)N1CCC(CNCc2cccc(-n3cccn3)n2)CC1.O=C(c1ccc(F)c(Cl)c1)N1CCC(CNCc2cccc(-c3ccco3)n2)CC1.O=C(c1ccc(F)c(Cl)c1)N1CCC(CNCc2cccc(-c3cnco3)n2)CC1.O=C(c1ccc(F)c(Cl)c1)N1CCC(CNCc2cccc(-n3cccn3)n2)CC1.O=C(c1ccccc1)N1CCC(CNCc2cccc(-c3cnco3)n2)CC1.O=C(c1ccccc1)N1CCC(CNCc2cccc(-n3cccn3)n2)CC1
InChIInChI=1S/C23H23ClFN3O2.C22H23Cl2N5O.C22H22Cl2N4O2.C22H23ClFN5O.C22H22ClFN4O2.C22H29FN4O.C22H25N5O.C22H24N4O2/c24-19-13-17(6-7-20(19)25)23(29)28-10-8-16(9-11-28)14-26-15-18-3-1-4-21(27-18)22-5-2-12-30-22;23-19-6-5-17(13-20(19)24)22(30)28-11-7-16(8-12-28)14-25-15-18-3-1-4-21(27-18)29-10-2-9-26-29;23-18-5-4-16(10-19(18)24)22(29)28-8-6-15(7-9-28)11-25-12-17-2-1-3-20(27-17)21-13-26-14-30-21;23-19-13-17(5-6-20(19)24)22(30)28-11-7-16(8-12-28)14-25-15-18-3-1-4-21(27-18)29-10-2-9-26-29;23-18-10-16(4-5-19(18)24)22(29)28-8-6-15(7-9-28)11-25-12-17-2-1-3-20(27-17)21-13-26-14-30-21;1-17-9-10-19(25-20(17)26(2)3)15-24-16-22(23)11-13-27(14-12-22)21(28)18-7-5-4-6-8-18;28-22(19-6-2-1-3-7-19)26-14-10-18(11-15-26)16-23-17-20-8-4-9-21(25-20)27-13-5-12-24-27;27-22(18-5-2-1-3-6-18)26-11-9-17(10-12-26)13-23-14-19-7-4-8-20(25-19)21-15-24-16-28-21/h1-7,12-13,16,26H,8-11,14-15H2;1-6,9-10,13,16,25H,7-8,11-12,14-15H2;1-5,10,13-15,25H,6-9,11-12H2;1-6,9-10,13,16,25H,7-8,11-12,14-15H2;1-5,10,13-15,25H,6-9,11-12H2;4-10,24H,11-16H2,1-3H3;1-9,12-13,18,23H,10-11,14-17H2;1-8,15-17,23H,9-14H2
InChIKeyUAFBFVNCIMBWQA-UHFFFAOYSA-N
XLogP31.03
TPSA509.77 Ų
H-Bond Donors8
H-Bond Acceptors38
Rotatable Bonds48
Heavy Atoms234
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003310.86
LogP ≤ 531.03
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1038

Analyze (3-chloro-4-fluorophenyl)-[4-[[[6-(furan-2-yl)-2-pyridinyl]methylamino]methyl]piperidin-1-yl]methanone;(3-chloro-4-fluorophenyl)-[4-[[[6-(1,3-oxazol-5-yl)-2-pyridinyl]methylamino]methyl]piperidin-1-yl]methanone;(3-chloro-4-fluorophenyl)-[4-[[(6-pyrazol-1-yl-2-pyridinyl)methylamino]methyl]piperidin-1-yl]methanone;(3,4-dichlorophenyl)-[4-[[[6-(1,3-oxazol-5-yl)-2-pyridinyl]methylamino]methyl]piperidin-1-yl]methanone;(3,4-dichlorophenyl)-[4-[[(6-pyrazol-1-yl-2-pyridinyl)methylamino]methyl]piperidin-1-yl]methanone;[4-[[[6-(dimethylamino)-5-methyl-2-pyridinyl]methylamino]methyl]-4-fluoropiperidin-1-yl]-phenylmethanone;[4-[[[6-(1,3-oxazol-5-yl)-2-pyridinyl]methylamino]methyl]piperidin-1-yl]-phenylmethanone;phenyl-[4-[[(6-pyrazol-1-yl-2-pyridinyl)methylamino]methyl]piperidin-1-yl]methanone with MolForge

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Related Compounds

1-[4-[5-(2-Chlorophenyl)-1,3,4-oxadiazol-2-yl]piperazin-1-yl]-2,2-dimethylpropan-1-one;1-[4-[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]piperazin-1-yl]-2,2-dimethylpropan-1-one;1-[4-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]piperazin-1-yl]-2,2-dimethylpropan-1-one;2,2-dimethyl-1-[4-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)piperazin-1-yl]propan-1-one;2,2-dimethyl-1-[4-[4-(trifluoromethyl)-1,3-oxazol-2-yl]piperazin-1-yl]propan-1-one;2,2-dimethyl-1-[4-[5-[5-(trifluoromethyl)-2-pyridinyl]-1,3,4-oxadiazol-2-yl]piperazin-1-yl]propan-1-one;1-[4-[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]piperazin-1-yl]-2,2-dimethylpropan-1-one
CID 157201195
N-[5-(3-cyano-1-methylpyrazol-5-yl)-2-pyridinyl]-2,6-difluorobenzamide;N-[5-(3-cyano-1-methylpyrazol-5-yl)-2-pyridinyl]-2-fluorobenzamide;2,6-difluoro-N-[5-[3-(2-fluorophenyl)-1-methylpyrazol-5-yl]pyrazin-2-yl]benzamide;2,6-difluoro-N-[5-[3-(furan-2-yl)-1-methylpyrazol-5-yl]pyrazin-2-yl]benzamide;2,6-difluoro-N-[6-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]benzamide;2-fluoro-N-[6-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]benzamide
CID 160776565
N-[(3-chloro-2,4-difluorophenyl)methyl]-5-methyl-7-(oxan-4-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine;7-cyclobutyl-5-methyl-N-[(3-methyl-1-phenylpyrazol-4-yl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine;5-methyl-N-[(4-methyl-2-phenyl-1,3-oxazol-5-yl)methyl]-7-(oxan-4-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine;5-methyl-N-[(1-methyl-3-phenylpyrazol-5-yl)methyl]-7-(oxan-4-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine;5-methyl-N-[(3-methyl-1-phenylpyrazol-4-yl)methyl]-7-(oxolan-3-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine;5-methyl-N-[[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]methyl]-7-(oxan-4-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine
CID 162036757
2-(4-Chlorophenyl)-5-[1-(2-morpholin-4-ylethyl)indazol-5-yl]furo[3,2-c]pyridin-4-one;2-(4-chlorophenyl)-5-[1-(2-piperazin-1-ylethyl)indazol-5-yl]furo[3,2-c]pyridin-4-one;2-(5-fluoro-2-pyridinyl)-5-[1-(2-pyrrolidin-1-ylethyl)indazol-5-yl]furo[3,2-c]pyridin-4-one;2-(6-methylpyridazin-3-yl)-5-[1-(2-pyrrolidin-1-ylethyl)indazol-5-yl]furo[3,2-c]pyridin-4-one;2-pyridin-2-yl-5-[1-(2-pyrrolidin-1-ylethyl)indazol-5-yl]furo[3,2-c]pyridin-4-one;2-pyrimidin-2-yl-5-[1-(2-pyrrolidin-1-ylethyl)indazol-5-yl]furo[3,2-c]pyridin-4-one
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1-[(1S)-1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]-4-[2-[(2-methoxy-4-pyridinyl)amino]pyrimidin-4-yl]pyridin-2-one;1-[(4-chloro-3-fluorophenyl)-(1-methylpyrazol-4-yl)methyl]-4-[2-(oxan-4-ylamino)pyrimidin-4-yl]pyridin-2-one;1-[(4-chloro-3-fluorophenyl)-(1,3-oxazol-5-yl)methyl]-4-[2-(oxan-4-ylamino)pyrimidin-4-yl]pyridin-2-one;1-[(1S)-1-(3,5-dichlorophenyl)-2-hydroxyethyl]-4-[2-[[(3S,4S)-3-fluorooxan-4-yl]amino]pyrimidin-4-yl]pyridin-2-one;1-[(1S)-1-(3,5-dichlorophenyl)-2-hydroxyethyl]-4-[2-[[(3S,4R)-3-fluorooxan-4-yl]amino]pyrimidin-4-yl]pyridin-2-one;1-[(1S)-1-(3,4-dichlorophenyl)-2-hydroxyethyl]-4-[2-(oxan-4-ylamino)pyrimidin-4-yl]pyridin-2-one;1-[(1S)-1-(3,5-dichlorophenyl)-2-hydroxyethyl]-4-[2-(oxan-4-ylamino)pyrimidin-4-yl]pyridin-2-one
CID 157572720
4-tert-butyl-5-chloro-1-methylpyrazole;4-tert-butyl-2-methyl-1,3-oxazole;5-tert-butyl-2-methyl-1,3-oxazole;(3S)-4-(4-tert-butyl-1,3-oxazol-2-yl)-3-methylmorpholine;(3R)-4-(4-tert-butyl-1,3-oxazol-2-yl)-3-methylmorpholine;4-(4-tert-butyl-1,3-oxazol-2-yl)morpholine;4-tert-butyl-2-pyridin-4-yl-1,3-oxazole;2-tert-butyl-6-pyrrolidin-3-yloxypyridine
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N-[(3-chloro-5-fluorophenyl)methyl]-5-methyl-7-(oxan-4-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine;7-cyclobutyl-5-methyl-N-[(3-methyl-1-phenylpyrazol-4-yl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine;5-methyl-7-(1-methylcyclopropyl)-N-[(3-methyl-1-phenylpyrazol-4-yl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine;5-methyl-N-[(4-methyl-2-phenyl-1,3-oxazol-5-yl)methyl]-7-(oxan-4-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine;5-methyl-N-[(1-methyl-3-phenylpyrazol-5-yl)methyl]-7-(oxan-4-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine;5-methyl-N-[(3-methyl-1-phenylpyrazol-4-yl)methyl]-7-(oxolan-3-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine
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2-(5-chloro-2H-pyrazolo[3,4-b]pyridin-3-yl)-N-(3-methyl-2-bicyclo[2.2.2]octanyl)-6-(1-methylpyrrol-3-yl)pyrimidin-4-amine;3-[4-(5-cyclopropylfuran-2-yl)-6-[(3-methyl-2-bicyclo[2.2.2]octanyl)methyl]pyrimidin-2-yl]-5-fluoro-2H-pyrazolo[3,4-b]pyridine;5-fluoro-3-[4-[(3-methyl-2-bicyclo[2.2.2]octanyl)methyl]-6-(5-pyrrolidin-1-ylfuran-2-yl)pyrimidin-2-yl]-2H-pyrazolo[3,4-b]pyridine;4-[5-[2-(5-fluoro-2H-pyrazolo[3,4-b]pyridin-3-yl)-6-[(3-methyl-2-bicyclo[2.2.2]octanyl)methyl]pyrimidin-4-yl]furan-2-yl]morpholine
CID 159528465
3-bromo-5-(2-chlorophenyl)-N-[(1-oxidopyridin-1-ium-3-yl)methyl]pyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-5-(4-chlorophenyl)-N-[(1-oxidopyridin-1-ium-3-yl)methyl]pyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-5-(2-chlorophenyl)-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-5-(2-fluorophenyl)-N-[(1-hydroxypyridin-1-ium-3-yl)methyl]pyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-5-(2-fluorophenyl)-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-5-(furan-2-yl)-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-N-[(1-oxidopyridin-1-ium-3-yl)methyl]-5-phenylpyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-N-[(1-oxidopyridin-1-ium-3-yl)methyl]-5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-5-phenyl-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 159724980
5-chloro-3-[5-fluoro-4-[4-(furan-2-yl)piperazin-1-yl]-6-[[(2S,3S)-3-methyl-2-bicyclo[2.2.2]octanyl]methyl]pyrimidin-2-yl]-2H-pyrazolo[3,4-b]pyridine;N-[(1S,3R)-3-[[2-(5-chloro-2H-pyrazolo[3,4-b]pyridin-3-yl)-6-(furan-2-yl)pyrimidin-4-yl]methyl]cyclohexyl]pyrrolidine-1-carboxamide;3-[4-(furan-2-yl)-6-[(3-methyl-2-bicyclo[2.2.2]octanyl)methyl]pyrimidin-2-yl]-2H-pyrazolo[3,4-b]pyridine
CID 160379065
N-[6-amino-5-[3-(furan-2-yl)-1-methylpyrazol-5-yl]-2-pyridinyl]-2-chlorobenzamide;N-[6-amino-5-[3-(furan-2-yl)-1-methylpyrazol-5-yl]-2-pyridinyl]-2-fluorobenzamide;N-[6-amino-5-[3-(furan-2-yl)-1-methylpyrazol-5-yl]-2-pyridinyl]-3-methylbenzamide;N-[6-amino-3-(1-methyl-3-phenylpyrazol-5-yl)-2-pyridinyl]-2-chlorobenzamide;N-[6-amino-5-(1-methyl-3-phenylpyrazol-5-yl)-2-pyridinyl]-2,6-difluorobenzamide;N-[6-amino-3-(1-methyl-3-phenylpyrazol-5-yl)-2-pyridinyl]-2-fluorobenzamide;N-[6-amino-5-(1-methyl-3-phenylpyrazol-5-yl)-2-pyridinyl]-2-fluorobenzamide;methane
CID 160479971
N-[6-amino-5-[3-(furan-2-yl)-1-methylpyrazol-5-yl]-2-pyridinyl]-2-chlorobenzamide;N-[6-amino-5-[3-(furan-2-yl)-1-methylpyrazol-5-yl]-2-pyridinyl]-2-fluorobenzamide;N-[6-amino-5-[3-(furan-2-yl)-1-methylpyrazol-5-yl]-2-pyridinyl]-3-methylbenzamide;N-[6-amino-3-(1-methyl-3-phenylpyrazol-5-yl)-2-pyridinyl]-2-chlorobenzamide;N-[6-amino-5-(1-methyl-3-phenylpyrazol-5-yl)-2-pyridinyl]-2,6-difluorobenzamide;N-[6-amino-3-(1-methyl-3-phenylpyrazol-5-yl)-2-pyridinyl]-2-fluorobenzamide;N-[6-amino-5-(1-methyl-3-phenylpyrazol-5-yl)-2-pyridinyl]-2-fluorobenzamide
CID 160731590

Frequently Asked Questions

What is the IUPAC name of (3-chloro-4-fluorophenyl)-[4-[[[6-(furan-2-yl)-2-pyridinyl]methylamino]methyl]piperidin-1-yl]methanone;(3-chloro-4-fluorophenyl)-[4-[[[6-(1,3-oxazol-5-yl)-2-pyridinyl]methylamino]methyl]piperidin-1-yl]methanone;(3-chloro-4-fluorophenyl)-[4-[[(6-pyrazol-1-yl-2-pyridinyl)methylamino]methyl]piperidin-1-yl]methanone;(3,4-dichlorophenyl)-[4-[[[6-(1,3-oxazol-5-yl)-2-pyridinyl]methylamino]methyl]piperidin-1-yl]methanone;(3,4-dichlorophenyl)-[4-[[(6-pyrazol-1-yl-2-pyridinyl)methylamino]methyl]piperidin-1-yl]methanone;[4-[[[6-(dimethylamino)-5-methyl-2-pyridinyl]methylamino]methyl]-4-fluoropiperidin-1-yl]-phenylmethanone;[4-[[[6-(1,3-oxazol-5-yl)-2-pyridinyl]methylamino]methyl]piperidin-1-yl]-phenylmethanone;phenyl-[4-[[(6-pyrazol-1-yl-2-pyridinyl)methylamino]methyl]piperidin-1-yl]methanone?
The IUPAC name of (3-chloro-4-fluorophenyl)-[4-[[[6-(furan-2-yl)-2-pyridinyl]methylamino]methyl]piperidin-1-yl]methanone;(3-chloro-4-fluorophenyl)-[4-[[[6-(1,3-oxazol-5-yl)-2-pyridinyl]methylamino]methyl]piperidin-1-yl]methanone;(3-chloro-4-fluorophenyl)-[4-[[(6-pyrazol-1-yl-2-pyridinyl)methylamino]methyl]piperidin-1-yl]methanone;(3,4-dichlorophenyl)-[4-[[[6-(1,3-oxazol-5-yl)-2-pyridinyl]methylamino]methyl]piperidin-1-yl]methanone;(3,4-dichlorophenyl)-[4-[[(6-pyrazol-1-yl-2-pyridinyl)methylamino]methyl]piperidin-1-yl]methanone;[4-[[[6-(dimethylamino)-5-methyl-2-pyridinyl]methylamino]methyl]-4-fluoropiperidin-1-yl]-phenylmethanone;[4-[[[6-(1,3-oxazol-5-yl)-2-pyridinyl]methylamino]methyl]piperidin-1-yl]-phenylmethanone;phenyl-[4-[[(6-pyrazol-1-yl-2-pyridinyl)methylamino]methyl]piperidin-1-yl]methanone (CID 161035575) is (3-chloro-4-fluorophenyl)-[4-[[[6-(furan-2-yl)-2-pyridinyl]methylamino]methyl]piperidin-1-yl]methanone;(3-chloro-4-fluorophenyl)-[4-[[[6-(1,3-oxazol-5-yl)-2-pyridinyl]methylamino]methyl]piperidin-1-yl]methanone;(3-chloro-4-fluorophenyl)-[4-[[(6-pyrazol-1-yl-2-pyridinyl)methylamino]methyl]piperidin-1-yl]methanone;(3,4-dichlorophenyl)-[4-[[[6-(1,3-oxazol-5-yl)-2-pyridinyl]methylamino]methyl]piperidin-1-yl]methanone;(3,4-dichlorophenyl)-[4-[[(6-pyrazol-1-yl-2-pyridinyl)methylamino]methyl]piperidin-1-yl]methanone;[4-[[[6-(dimethylamino)-5-methyl-2-pyridinyl]methylamino]methyl]-4-fluoropiperidin-1-yl]-phenylmethanone;[4-[[[6-(1,3-oxazol-5-yl)-2-pyridinyl]methylamino]methyl]piperidin-1-yl]-phenylmethanone;phenyl-[4-[[(6-pyrazol-1-yl-2-pyridinyl)methylamino]methyl]piperidin-1-yl]methanone.
What is the SMILES notation for (3-chloro-4-fluorophenyl)-[4-[[[6-(furan-2-yl)-2-pyridinyl]methylamino]methyl]piperidin-1-yl]methanone;(3-chloro-4-fluorophenyl)-[4-[[[6-(1,3-oxazol-5-yl)-2-pyridinyl]methylamino]methyl]piperidin-1-yl]methanone;(3-chloro-4-fluorophenyl)-[4-[[(6-pyrazol-1-yl-2-pyridinyl)methylamino]methyl]piperidin-1-yl]methanone;(3,4-dichlorophenyl)-[4-[[[6-(1,3-oxazol-5-yl)-2-pyridinyl]methylamino]methyl]piperidin-1-yl]methanone;(3,4-dichlorophenyl)-[4-[[(6-pyrazol-1-yl-2-pyridinyl)methylamino]methyl]piperidin-1-yl]methanone;[4-[[[6-(dimethylamino)-5-methyl-2-pyridinyl]methylamino]methyl]-4-fluoropiperidin-1-yl]-phenylmethanone;[4-[[[6-(1,3-oxazol-5-yl)-2-pyridinyl]methylamino]methyl]piperidin-1-yl]-phenylmethanone;phenyl-[4-[[(6-pyrazol-1-yl-2-pyridinyl)methylamino]methyl]piperidin-1-yl]methanone?
The canonical SMILES for (3-chloro-4-fluorophenyl)-[4-[[[6-(furan-2-yl)-2-pyridinyl]methylamino]methyl]piperidin-1-yl]methanone;(3-chloro-4-fluorophenyl)-[4-[[[6-(1,3-oxazol-5-yl)-2-pyridinyl]methylamino]methyl]piperidin-1-yl]methanone;(3-chloro-4-fluorophenyl)-[4-[[(6-pyrazol-1-yl-2-pyridinyl)methylamino]methyl]piperidin-1-yl]methanone;(3,4-dichlorophenyl)-[4-[[[6-(1,3-oxazol-5-yl)-2-pyridinyl]methylamino]methyl]piperidin-1-yl]methanone;(3,4-dichlorophenyl)-[4-[[(6-pyrazol-1-yl-2-pyridinyl)methylamino]methyl]piperidin-1-yl]methanone;[4-[[[6-(dimethylamino)-5-methyl-2-pyridinyl]methylamino]methyl]-4-fluoropiperidin-1-yl]-phenylmethanone;[4-[[[6-(1,3-oxazol-5-yl)-2-pyridinyl]methylamino]methyl]piperidin-1-yl]-phenylmethanone;phenyl-[4-[[(6-pyrazol-1-yl-2-pyridinyl)methylamino]methyl]piperidin-1-yl]methanone is Cc1ccc(CNCC2(F)CCN(C(=O)c3ccccc3)CC2)nc1N(C)C.O=C(c1ccc(Cl)c(Cl)c1)N1CCC(CNCc2cccc(-c3cnco3)n2)CC1.O=C(c1ccc(Cl)c(Cl)c1)N1CCC(CNCc2cccc(-n3cccn3)n2)CC1.O=C(c1ccc(F)c(Cl)c1)N1CCC(CNCc2cccc(-c3ccco3)n2)CC1.O=C(c1ccc(F)c(Cl)c1)N1CCC(CNCc2cccc(-c3cnco3)n2)CC1.O=C(c1ccc(F)c(Cl)c1)N1CCC(CNCc2cccc(-n3cccn3)n2)CC1.O=C(c1ccccc1)N1CCC(CNCc2cccc(-c3cnco3)n2)CC1.O=C(c1ccccc1)N1CCC(CNCc2cccc(-n3cccn3)n2)CC1.
What is the InChIKey of (3-chloro-4-fluorophenyl)-[4-[[[6-(furan-2-yl)-2-pyridinyl]methylamino]methyl]piperidin-1-yl]methanone;(3-chloro-4-fluorophenyl)-[4-[[[6-(1,3-oxazol-5-yl)-2-pyridinyl]methylamino]methyl]piperidin-1-yl]methanone;(3-chloro-4-fluorophenyl)-[4-[[(6-pyrazol-1-yl-2-pyridinyl)methylamino]methyl]piperidin-1-yl]methanone;(3,4-dichlorophenyl)-[4-[[[6-(1,3-oxazol-5-yl)-2-pyridinyl]methylamino]methyl]piperidin-1-yl]methanone;(3,4-dichlorophenyl)-[4-[[(6-pyrazol-1-yl-2-pyridinyl)methylamino]methyl]piperidin-1-yl]methanone;[4-[[[6-(dimethylamino)-5-methyl-2-pyridinyl]methylamino]methyl]-4-fluoropiperidin-1-yl]-phenylmethanone;[4-[[[6-(1,3-oxazol-5-yl)-2-pyridinyl]methylamino]methyl]piperidin-1-yl]-phenylmethanone;phenyl-[4-[[(6-pyrazol-1-yl-2-pyridinyl)methylamino]methyl]piperidin-1-yl]methanone?
The InChIKey is UAFBFVNCIMBWQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23ClFN3O2.C22H23Cl2N5O.C22H22Cl2N4O2.C22H23ClFN5O.C22H22ClFN4O2.C22H29FN4O.C22H25N5O.C22H24N4O2/c24-19-13-17(6-7-20(19)25)23(29)28-10-8-16(9-11-28)14-26-15-18-3-1-4-21(27-18)22-5-2-12-30-22;23-19-6-5-17(13-20(19)24)22(30)28-11-7-16(8-12-28)14-25-15-18-3-1-4-21(27-18)29-10-2-9-26-29;23-18-5-4-16(10-19(18)24)22(29)28-8-6-15(7-9-28)11-25-12-17-2-1-3-20(27-17)21-13-26-14-30-21;23-19-13-17(5-6-20(19)24)22(30)28-11-7-16(8-12-28)14-25-15-18-3-1-4-21(27-18)29-10-2-9-26-29;23-18-10-16(4-5-19(18)24)22(29)28-8-6-15(7-9-28)11-25-12-17-2-1-3-20(27-17)21-13-26-14-30-21;1-17-9-10-19(25-20(17)26(2)3)15-24-16-22(23)11-13-27(14-12-22)21(28)18-7-5-4-6-8-18;28-22(19-6-2-1-3-7-19)26-14-10-18(11-15-26)16-23-17-20-8-4-9-21(25-20)27-13-5-12-24-27;27-22(18-5-2-1-3-6-18)26-11-9-17(10-12-26)13-23-14-19-7-4-8-20(25-19)21-15-24-16-28-21/h1-7,12-13,16,26H,8-11,14-15H2;1-6,9-10,13,16,25H,7-8,11-12,14-15H2;1-5,10,13-15,25H,6-9,11-12H2;1-6,9-10,13,16,25H,7-8,11-12,14-15H2;1-5,10,13-15,25H,6-9,11-12H2;4-10,24H,11-16H2,1-3H3;1-9,12-13,18,23H,10-11,14-17H2;1-8,15-17,23H,9-14H2.
What are the key properties of (3-chloro-4-fluorophenyl)-[4-[[[6-(furan-2-yl)-2-pyridinyl]methylamino]methyl]piperidin-1-yl]methanone;(3-chloro-4-fluorophenyl)-[4-[[[6-(1,3-oxazol-5-yl)-2-pyridinyl]methylamino]methyl]piperidin-1-yl]methanone;(3-chloro-4-fluorophenyl)-[4-[[(6-pyrazol-1-yl-2-pyridinyl)methylamino]methyl]piperidin-1-yl]methanone;(3,4-dichlorophenyl)-[4-[[[6-(1,3-oxazol-5-yl)-2-pyridinyl]methylamino]methyl]piperidin-1-yl]methanone;(3,4-dichlorophenyl)-[4-[[(6-pyrazol-1-yl-2-pyridinyl)methylamino]methyl]piperidin-1-yl]methanone;[4-[[[6-(dimethylamino)-5-methyl-2-pyridinyl]methylamino]methyl]-4-fluoropiperidin-1-yl]-phenylmethanone;[4-[[[6-(1,3-oxazol-5-yl)-2-pyridinyl]methylamino]methyl]piperidin-1-yl]-phenylmethanone;phenyl-[4-[[(6-pyrazol-1-yl-2-pyridinyl)methylamino]methyl]piperidin-1-yl]methanone?
(3-chloro-4-fluorophenyl)-[4-[[[6-(furan-2-yl)-2-pyridinyl]methylamino]methyl]piperidin-1-yl]methanone;(3-chloro-4-fluorophenyl)-[4-[[[6-(1,3-oxazol-5-yl)-2-pyridinyl]methylamino]methyl]piperidin-1-yl]methanone;(3-chloro-4-fluorophenyl)-[4-[[(6-pyrazol-1-yl-2-pyridinyl)methylamino]methyl]piperidin-1-yl]methanone;(3,4-dichlorophenyl)-[4-[[[6-(1,3-oxazol-5-yl)-2-pyridinyl]methylamino]methyl]piperidin-1-yl]methanone;(3,4-dichlorophenyl)-[4-[[(6-pyrazol-1-yl-2-pyridinyl)methylamino]methyl]piperidin-1-yl]methanone;[4-[[[6-(dimethylamino)-5-methyl-2-pyridinyl]methylamino]methyl]-4-fluoropiperidin-1-yl]-phenylmethanone;[4-[[[6-(1,3-oxazol-5-yl)-2-pyridinyl]methylamino]methyl]piperidin-1-yl]-phenylmethanone;phenyl-[4-[[(6-pyrazol-1-yl-2-pyridinyl)methylamino]methyl]piperidin-1-yl]methanone has a molecular weight of 3310.86 g/mol, XLogP of 31.03, 48 rotatable bonds, 8 hydrogen bond donors, and 38 hydrogen bond acceptors.
Where does this data come from?
All data for (3-chloro-4-fluorophenyl)-[4-[[[6-(furan-2-yl)-2-pyridinyl]methylamino]methyl]piperidin-1-yl]methanone;(3-chloro-4-fluorophenyl)-[4-[[[6-(1,3-oxazol-5-yl)-2-pyridinyl]methylamino]methyl]piperidin-1-yl]methanone;(3-chloro-4-fluorophenyl)-[4-[[(6-pyrazol-1-yl-2-pyridinyl)methylamino]methyl]piperidin-1-yl]methanone;(3,4-dichlorophenyl)-[4-[[[6-(1,3-oxazol-5-yl)-2-pyridinyl]methylamino]methyl]piperidin-1-yl]methanone;(3,4-dichlorophenyl)-[4-[[(6-pyrazol-1-yl-2-pyridinyl)methylamino]methyl]piperidin-1-yl]methanone;[4-[[[6-(dimethylamino)-5-methyl-2-pyridinyl]methylamino]methyl]-4-fluoropiperidin-1-yl]-phenylmethanone;[4-[[[6-(1,3-oxazol-5-yl)-2-pyridinyl]methylamino]methyl]piperidin-1-yl]-phenylmethanone;phenyl-[4-[[(6-pyrazol-1-yl-2-pyridinyl)methylamino]methyl]piperidin-1-yl]methanone is sourced from PubChem (CID 161035575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).