5-(3-chloro-4-fluorophenyl)-3-[1-[2-fluoro-3-methyl-4-(2-pyrrolidin-1-ylethoxy)phenyl]tetrazol-5-yl]pyridin-2-amine;3-[1-[2-fluoro-3-methyl-4-(2-piperidin-1-ylethoxy)phenyl]tetrazol-5-yl]-5-[1-(2-methylpropyl)pyrazol-4-yl]pyridin-2-amine;3-[1-[2-fluoro-3-methyl-4-(2-pyrrolidin-1-ylethoxy)phenyl]tetrazol-5-yl]-5-[1-(3-methylbutyl)pyrazol-4-yl]pyridin-2-amine;3-[1-[2-fluoro-3-methyl-4-(2-pyrrolidin-1-ylethoxy)phenyl]tetrazol-5-yl]-5-pyrimidin-5-ylpyridin-2-amine

C102H116ClF5N34O4 — CID 158152861

IUPAC5-(3-chloro-4-fluorophenyl)-3-[1-[2-fluoro-3-methyl-4-(2-pyrrolidin-1-ylethoxy)phenyl]tetrazol-5-yl]pyridin-2-amine;3-[1-[2-fluoro-3-methyl-4-(2-piperidin-1-ylethoxy)phenyl]tetrazol-5-yl]-5-[1-(2-methylpropyl)pyrazol-4-yl]pyridin-2-amine;3-[1-[2-fluoro-3-methyl-4-(2-pyrrolidin-1-ylethoxy)phenyl]tetrazol-5-yl]-5-[1-(3-methylbutyl)pyrazol-4-yl]pyridin-2-amine;3-[1-[2-fluoro-3-methyl-4-(2-pyrrolidin-1-ylethoxy)phenyl]tetrazol-5-yl]-5-pyrimidin-5-ylpyridin-2-amine
SMILESCc1c(OCCN2CCCC2)ccc(-n2nnnc2-c2cc(-c3ccc(F)c(Cl)c3)cnc2N)c1F.Cc1c(OCCN2CCCC2)ccc(-n2nnnc2-c2cc(-c3cncnc3)cnc2N)c1F.Cc1c(OCCN2CCCC2)ccc(-n2nnnc2-c2cc(-c3cnn(CCC(C)C)c3)cnc2N)c1F.Cc1c(OCCN2CCCCC2)ccc(-n2nnnc2-c2cc(-c3cnn(CC(C)C)c3)cnc2N)c1F
InChIInChI=1S/2C27H34FN9O.C25H24ClF2N7O.C23H24FN9O/c1-18(2)8-11-36-17-21(16-31-36)20-14-22(26(29)30-15-20)27-32-33-34-37(27)23-6-7-24(19(3)25(23)28)38-13-12-35-9-4-5-10-35;1-18(2)16-36-17-21(15-31-36)20-13-22(26(29)30-14-20)27-32-33-34-37(27)23-7-8-24(19(3)25(23)28)38-12-11-35-9-5-4-6-10-35;1-15-22(36-11-10-34-8-2-3-9-34)7-6-21(23(15)28)35-25(31-32-33-35)18-12-17(14-30-24(18)29)16-4-5-20(27)19(26)13-16;1-15-20(34-9-8-32-6-2-3-7-32)5-4-19(21(15)24)33-23(29-30-31-33)18-10-16(13-28-22(18)25)17-11-26-14-27-12-17/h6-7,14-18H,4-5,8-13H2,1-3H3,(H2,29,30);7-8,13-15,17-18H,4-6,9-12,16H2,1-3H3,(H2,29,30);4-7,12-14H,2-3,8-11H2,1H3,(H2,29,30);4-5,10-14H,2-3,6-9H2,1H3,(H2,25,28)
InChIKeyFVIGAXCMBBHMOG-UHFFFAOYSA-N
MW2012.73 g/mol
LogP15.65
Rot. Bonds33

About 5-(3-chloro-4-fluorophenyl)-3-[1-[2-fluoro-3-methyl-4-(2-pyrrolidin-1-ylethoxy)phenyl]tetrazol-5-yl]pyridin-2-amine;3-[1-[2-fluoro-3-methyl-4-(2-piperidin-1-ylethoxy)phenyl]tetrazol-5-yl]-5-[1-(2-methylpropyl)pyrazol-4-yl]pyridin-2-amine;3-[1-[2-fluoro-3-methyl-4-(2-pyrrolidin-1-ylethoxy)phenyl]tetrazol-5-yl]-5-[1-(3-methylbutyl)pyrazol-4-yl]pyridin-2-amine;3-[1-[2-fluoro-3-methyl-4-(2-pyrrolidin-1-ylethoxy)phenyl]tetrazol-5-yl]-5-pyrimidin-5-ylpyridin-2-amine

5-(3-chloro-4-fluorophenyl)-3-[1-[2-fluoro-3-methyl-4-(2-pyrrolidin-1-ylethoxy)phenyl]tetrazol-5-yl]pyridin-2-amine;3-[1-[2-fluoro-3-methyl-4-(2-piperidin-1-ylethoxy)phenyl]tetrazol-5-yl]-5-[1-(2-methylpropyl)pyrazol-4-yl]pyridin-2-amine;3-[1-[2-fluoro-3-methyl-4-(2-pyrrolidin-1-ylethoxy)phenyl]tetrazol-5-yl]-5-[1-(3-methylbutyl)pyrazol-4-yl]pyridin-2-amine;3-[1-[2-fluoro-3-methyl-4-(2-pyrrolidin-1-ylethoxy)phenyl]tetrazol-5-yl]-5-pyrimidin-5-ylpyridin-2-amine (PubChem CID 158152861) has the molecular formula C102H116ClF5N34O4 and a molecular weight of 2012.73 g/mol. Its IUPAC name is 5-(3-chloro-4-fluorophenyl)-3-[1-[2-fluoro-3-methyl-4-(2-pyrrolidin-1-ylethoxy)phenyl]tetrazol-5-yl]pyridin-2-amine;3-[1-[2-fluoro-3-methyl-4-(2-piperidin-1-ylethoxy)phenyl]tetrazol-5-yl]-5-[1-(2-methylpropyl)pyrazol-4-yl]pyridin-2-amine;3-[1-[2-fluoro-3-methyl-4-(2-pyrrolidin-1-ylethoxy)phenyl]tetrazol-5-yl]-5-[1-(3-methylbutyl)pyrazol-4-yl]pyridin-2-amine;3-[1-[2-fluoro-3-methyl-4-(2-pyrrolidin-1-ylethoxy)phenyl]tetrazol-5-yl]-5-pyrimidin-5-ylpyridin-2-amine.

Molecular Properties

Compound Name5-(3-chloro-4-fluorophenyl)-3-[1-[2-fluoro-3-methyl-4-(2-pyrrolidin-1-ylethoxy)phenyl]tetrazol-5-yl]pyridin-2-amine;3-[1-[2-fluoro-3-methyl-4-(2-piperidin-1-ylethoxy)phenyl]tetrazol-5-yl]-5-[1-(2-methylpropyl)pyrazol-4-yl]pyridin-2-amine;3-[1-[2-fluoro-3-methyl-4-(2-pyrrolidin-1-ylethoxy)phenyl]tetrazol-5-yl]-5-[1-(3-methylbutyl)pyrazol-4-yl]pyridin-2-amine;3-[1-[2-fluoro-3-methyl-4-(2-pyrrolidin-1-ylethoxy)phenyl]tetrazol-5-yl]-5-pyrimidin-5-ylpyridin-2-amine
PubChem CID158152861
Molecular FormulaC102H116ClF5N34O4
Molecular Weight2012.73 g/mol
Exact Mass2010.95
IUPAC Name5-(3-chloro-4-fluorophenyl)-3-[1-[2-fluoro-3-methyl-4-(2-pyrrolidin-1-ylethoxy)phenyl]tetrazol-5-yl]pyridin-2-amine;3-[1-[2-fluoro-3-methyl-4-(2-piperidin-1-ylethoxy)phenyl]tetrazol-5-yl]-5-[1-(2-methylpropyl)pyrazol-4-yl]pyridin-2-amine;3-[1-[2-fluoro-3-methyl-4-(2-pyrrolidin-1-ylethoxy)phenyl]tetrazol-5-yl]-5-[1-(3-methylbutyl)pyrazol-4-yl]pyridin-2-amine;3-[1-[2-fluoro-3-methyl-4-(2-pyrrolidin-1-ylethoxy)phenyl]tetrazol-5-yl]-5-pyrimidin-5-ylpyridin-2-amine
SMILESCc1c(OCCN2CCCC2)ccc(-n2nnnc2-c2cc(-c3ccc(F)c(Cl)c3)cnc2N)c1F.Cc1c(OCCN2CCCC2)ccc(-n2nnnc2-c2cc(-c3cncnc3)cnc2N)c1F.Cc1c(OCCN2CCCC2)ccc(-n2nnnc2-c2cc(-c3cnn(CCC(C)C)c3)cnc2N)c1F.Cc1c(OCCN2CCCCC2)ccc(-n2nnnc2-c2cc(-c3cnn(CC(C)C)c3)cnc2N)c1F
InChIInChI=1S/2C27H34FN9O.C25H24ClF2N7O.C23H24FN9O/c1-18(2)8-11-36-17-21(16-31-36)20-14-22(26(29)30-15-20)27-32-33-34-37(27)23-6-7-24(19(3)25(23)28)38-13-12-35-9-4-5-10-35;1-18(2)16-36-17-21(15-31-36)20-13-22(26(29)30-14-20)27-32-33-34-37(27)23-7-8-24(19(3)25(23)28)38-12-11-35-9-5-4-6-10-35;1-15-22(36-11-10-34-8-2-3-9-34)7-6-21(23(15)28)35-25(31-32-33-35)18-12-17(14-30-24(18)29)16-4-5-20(27)19(26)13-16;1-15-20(34-9-8-32-6-2-3-7-32)5-4-19(21(15)24)33-23(29-30-31-33)18-10-16(13-28-22(18)25)17-11-26-14-27-12-17/h6-7,14-18H,4-5,8-13H2,1-3H3,(H2,29,30);7-8,13-15,17-18H,4-6,9-12,16H2,1-3H3,(H2,29,30);4-7,12-14H,2-3,8-11H2,1H3,(H2,29,30);4-5,10-14H,2-3,6-9H2,1H3,(H2,25,28)
InChIKeyFVIGAXCMBBHMOG-UHFFFAOYSA-N
XLogP15.65
TPSA441.34 Ų
H-Bond Donors4
H-Bond Acceptors38
Rotatable Bonds33
Heavy Atoms146
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002012.73
LogP ≤ 515.65
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1038

Analyze 5-(3-chloro-4-fluorophenyl)-3-[1-[2-fluoro-3-methyl-4-(2-pyrrolidin-1-ylethoxy)phenyl]tetrazol-5-yl]pyridin-2-amine;3-[1-[2-fluoro-3-methyl-4-(2-piperidin-1-ylethoxy)phenyl]tetrazol-5-yl]-5-[1-(2-methylpropyl)pyrazol-4-yl]pyridin-2-amine;3-[1-[2-fluoro-3-methyl-4-(2-pyrrolidin-1-ylethoxy)phenyl]tetrazol-5-yl]-5-[1-(3-methylbutyl)pyrazol-4-yl]pyridin-2-amine;3-[1-[2-fluoro-3-methyl-4-(2-pyrrolidin-1-ylethoxy)phenyl]tetrazol-5-yl]-5-pyrimidin-5-ylpyridin-2-amine with MolForge

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Related Compounds

7-[2-(5-Chloro-2,4-difluorophenyl)-5-fluoro-3-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridine;7-[2-(3-chloro-4-fluorophenyl)-5-fluoro-3-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridine;7-[2-(5-chloro-2-fluorophenyl)-5-fluoro-3-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridine;7-[2-(5-chloro-2-fluorophenyl)-5-methoxy-3-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridine;7-[5-fluoro-2-[3-(trifluoromethyl)phenyl]-3-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridine;7-[5-methoxy-2-[3-(trifluoromethyl)phenyl]-3-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridine
CID 158374401
5-[(4-aminocyclohexyl)methyl]-N-(4-imidazo[1,2-a]pyridin-7-yloxy-3-methylphenyl)pyrrolo[2,1-f][1,2,4]triazin-4-amine;5-[(4-aminopiperidin-1-yl)methyl]-N-[3-chloro-2-fluoro-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenyl]pyrrolo[2,1-f][1,2,4]triazin-4-amine;5-[(4-aminopiperidin-1-yl)methyl]-N-[2-fluoro-3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenyl]pyrrolo[2,1-f][1,2,4]triazin-4-amine;5-[(4-aminopiperidin-1-yl)methyl]-6-fluoro-N-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenyl]pyrrolo[2,1-f][1,2,4]triazin-4-amine;5-[(4-aminopiperidin-1-yl)methyl]-N-[4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)-3-(trifluoromethyl)phenyl]pyrrolo[2,1-f][1,2,4]triazin-4-amine
CID 158608608
1-[1-(3-Chloro-5-methylphenyl)imidazol-2-yl]-3-[4-[1-[4-(trifluoromethoxy)phenyl]-1,2,4-triazol-3-yl]phenyl]urea;1-[1-(4-ethylphenyl)imidazol-2-yl]-3-[4-[1-[4-(trifluoromethoxy)phenyl]-1,2,4-triazol-3-yl]phenyl]urea;1-[1-(4-methylphenyl)imidazol-2-yl]-3-[4-[1-[4-(trifluoromethoxy)phenyl]-1,2,4-triazol-3-yl]phenyl]urea;1-[4-[1-[4-(1,1,2,2,2-pentafluoroethoxy)phenyl]-1,2,4-triazol-3-yl]phenyl]-3-[1-(2-propan-2-ylphenyl)imidazol-2-yl]urea;1-(1-phenylimidazol-2-yl)-3-[4-[1-[4-(trifluoromethoxy)phenyl]-1,2,4-triazol-3-yl]phenyl]urea;1-(1-pyridin-2-ylimidazol-2-yl)-3-[4-[1-[4-(trifluoromethoxy)phenyl]-1,2,4-triazol-3-yl]phenyl]urea;1-(1-pyridin-4-ylimidazol-2-yl)-3-[4-[1-[4-(trifluoromethoxy)phenyl]-1,2,4-triazol-3-yl]phenyl]urea
CID 158845296
5-(3-chlorophenyl)-N-(2-methyl-4-pyridinyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine;N-(2-chloro-4-pyridinyl)-5-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine;[4-[[5-[1-(2-methylpropyl)pyrazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-2-pyridinyl]methanol;(3R)-1-[2-[(2-methyl-4-pyridinyl)amino]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]piperidin-3-ol;N-(2-methyl-4-pyridinyl)-5-[2-(trifluoromethyl)-4-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine;[4-[[5-[2-(trifluoromethyl)-4-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-2-pyridinyl]methanol
CID 158871886
1-[3-[3-(2-Aminopyrimidin-4-yl)-1-ethylpyrazol-4-yl]phenyl]-3-(4-chlorophenyl)imidazolidin-2-one;1-[3-[3-(2-aminopyrimidin-4-yl)-1-ethylpyrazol-4-yl]phenyl]-3-(4-methoxyphenyl)imidazolidin-2-one;1-[3-[3-(2-aminopyrimidin-4-yl)-1-ethylpyrazol-4-yl]phenyl]-3-[4-(trifluoromethyl)phenyl]imidazolidin-2-one
CID 158965249
6-[4-(4-Chlorophenoxy)phenyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine;3-cyclopropyl-6-(4-phenoxyphenyl)-[1,2,4]triazolo[4,3-b]pyridazine;6-[4-(1,1-difluoroethoxy)phenyl]-3-(difluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine;6-[4-(1,1-difluoroethoxy)phenyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine;3-(difluoromethyl)-6-[6-(2,2-difluoropropoxy)-3-pyridinyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-(difluoromethyl)-6-[3-fluoro-4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine
CID 159064630
7-[2-(5-Chloro-2,4-difluorophenyl)-5-fluoro-3-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridine;7-[2-(3-chloro-4-fluorophenyl)-5-fluoro-3-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridine;7-[2-(5-chloro-2-fluorophenyl)-5-fluoro-3-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridine;7-[5-fluoro-2-[3-(trifluoromethyl)phenyl]-3-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridine;7-[5-methoxy-2-[3-(trifluoromethyl)phenyl]-3-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridine
CID 159200569
CID 159459122
CID 159459122
1-[3-[3-(2-Aminopyrimidin-4-yl)-1-ethylpyrazol-4-yl]-2-fluorophenyl]-3-(4-chlorophenyl)imidazolidin-2-one;1-[3-[3-(2-aminopyrimidin-4-yl)-1-ethylpyrazol-4-yl]-2-fluorophenyl]-3-(4-methoxyphenyl)imidazolidin-2-one;1-[3-[3-(2-aminopyrimidin-4-yl)-1-ethylpyrazol-4-yl]-2-fluorophenyl]-3-[4-(trifluoromethyl)phenyl]imidazolidin-2-one
CID 159662477
N-(2-chloro-4-pyridinyl)-5-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine;[4-[[5-(3,5-difluorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-2-pyridinyl]methanol;(3R)-1-[2-[(2-methyl-4-pyridinyl)amino]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]piperidin-3-ol;N-(2-methyl-4-pyridinyl)-5-[2-(trifluoromethyl)-4-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine;[4-[[5-[2-(trifluoromethyl)-4-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-2-pyridinyl]methanol
CID 159735655
1-[5-[3-(2-Aminopyrimidin-4-yl)-1-ethylpyrazol-4-yl]-2-fluorophenyl]-3-(4-chlorophenyl)imidazolidin-2-one;1-[5-[3-(2-aminopyrimidin-4-yl)-1-ethylpyrazol-4-yl]-2-fluorophenyl]-3-(4-methoxyphenyl)imidazolidin-2-one;1-[5-[3-(2-aminopyrimidin-4-yl)-1-ethylpyrazol-4-yl]-2-fluorophenyl]-3-[4-(trifluoromethyl)phenyl]imidazolidin-2-one
CID 159823835
N-[4-[3-(3-chloro-2-pyridinyl)-1,2,4-triazol-1-yl]phenyl]-4-(3-fluoro-5-morpholin-4-ylphenyl)pyrimidin-2-amine;4-(3-fluoro-5-morpholin-4-ylphenyl)-N-[4-[3-(5-fluoro-2-pyridinyl)-1,2,4-triazol-1-yl]phenyl]pyrimidin-2-amine;4-(3-fluoro-5-morpholin-4-ylphenyl)-N-[4-[3-(4-methoxy-2-pyridinyl)-1,2,4-triazol-1-yl]phenyl]pyrimidin-2-amine;4-(3-fluoro-5-morpholin-4-ylphenyl)-N-[4-[3-[5-(trifluoromethyl)-2-pyridinyl]-1,2,4-triazol-1-yl]phenyl]pyrimidin-2-amine;1-[1-[4-[[4-(3-morpholin-4-ylphenyl)pyrimidin-2-yl]amino]phenyl]-1,2,4-triazol-3-yl]piperidin-4-ol
CID 159833374

Frequently Asked Questions

What is the IUPAC name of 5-(3-chloro-4-fluorophenyl)-3-[1-[2-fluoro-3-methyl-4-(2-pyrrolidin-1-ylethoxy)phenyl]tetrazol-5-yl]pyridin-2-amine;3-[1-[2-fluoro-3-methyl-4-(2-piperidin-1-ylethoxy)phenyl]tetrazol-5-yl]-5-[1-(2-methylpropyl)pyrazol-4-yl]pyridin-2-amine;3-[1-[2-fluoro-3-methyl-4-(2-pyrrolidin-1-ylethoxy)phenyl]tetrazol-5-yl]-5-[1-(3-methylbutyl)pyrazol-4-yl]pyridin-2-amine;3-[1-[2-fluoro-3-methyl-4-(2-pyrrolidin-1-ylethoxy)phenyl]tetrazol-5-yl]-5-pyrimidin-5-ylpyridin-2-amine?
The IUPAC name of 5-(3-chloro-4-fluorophenyl)-3-[1-[2-fluoro-3-methyl-4-(2-pyrrolidin-1-ylethoxy)phenyl]tetrazol-5-yl]pyridin-2-amine;3-[1-[2-fluoro-3-methyl-4-(2-piperidin-1-ylethoxy)phenyl]tetrazol-5-yl]-5-[1-(2-methylpropyl)pyrazol-4-yl]pyridin-2-amine;3-[1-[2-fluoro-3-methyl-4-(2-pyrrolidin-1-ylethoxy)phenyl]tetrazol-5-yl]-5-[1-(3-methylbutyl)pyrazol-4-yl]pyridin-2-amine;3-[1-[2-fluoro-3-methyl-4-(2-pyrrolidin-1-ylethoxy)phenyl]tetrazol-5-yl]-5-pyrimidin-5-ylpyridin-2-amine (CID 158152861) is 5-(3-chloro-4-fluorophenyl)-3-[1-[2-fluoro-3-methyl-4-(2-pyrrolidin-1-ylethoxy)phenyl]tetrazol-5-yl]pyridin-2-amine;3-[1-[2-fluoro-3-methyl-4-(2-piperidin-1-ylethoxy)phenyl]tetrazol-5-yl]-5-[1-(2-methylpropyl)pyrazol-4-yl]pyridin-2-amine;3-[1-[2-fluoro-3-methyl-4-(2-pyrrolidin-1-ylethoxy)phenyl]tetrazol-5-yl]-5-[1-(3-methylbutyl)pyrazol-4-yl]pyridin-2-amine;3-[1-[2-fluoro-3-methyl-4-(2-pyrrolidin-1-ylethoxy)phenyl]tetrazol-5-yl]-5-pyrimidin-5-ylpyridin-2-amine.
What is the SMILES notation for 5-(3-chloro-4-fluorophenyl)-3-[1-[2-fluoro-3-methyl-4-(2-pyrrolidin-1-ylethoxy)phenyl]tetrazol-5-yl]pyridin-2-amine;3-[1-[2-fluoro-3-methyl-4-(2-piperidin-1-ylethoxy)phenyl]tetrazol-5-yl]-5-[1-(2-methylpropyl)pyrazol-4-yl]pyridin-2-amine;3-[1-[2-fluoro-3-methyl-4-(2-pyrrolidin-1-ylethoxy)phenyl]tetrazol-5-yl]-5-[1-(3-methylbutyl)pyrazol-4-yl]pyridin-2-amine;3-[1-[2-fluoro-3-methyl-4-(2-pyrrolidin-1-ylethoxy)phenyl]tetrazol-5-yl]-5-pyrimidin-5-ylpyridin-2-amine?
The canonical SMILES for 5-(3-chloro-4-fluorophenyl)-3-[1-[2-fluoro-3-methyl-4-(2-pyrrolidin-1-ylethoxy)phenyl]tetrazol-5-yl]pyridin-2-amine;3-[1-[2-fluoro-3-methyl-4-(2-piperidin-1-ylethoxy)phenyl]tetrazol-5-yl]-5-[1-(2-methylpropyl)pyrazol-4-yl]pyridin-2-amine;3-[1-[2-fluoro-3-methyl-4-(2-pyrrolidin-1-ylethoxy)phenyl]tetrazol-5-yl]-5-[1-(3-methylbutyl)pyrazol-4-yl]pyridin-2-amine;3-[1-[2-fluoro-3-methyl-4-(2-pyrrolidin-1-ylethoxy)phenyl]tetrazol-5-yl]-5-pyrimidin-5-ylpyridin-2-amine is Cc1c(OCCN2CCCC2)ccc(-n2nnnc2-c2cc(-c3ccc(F)c(Cl)c3)cnc2N)c1F.Cc1c(OCCN2CCCC2)ccc(-n2nnnc2-c2cc(-c3cncnc3)cnc2N)c1F.Cc1c(OCCN2CCCC2)ccc(-n2nnnc2-c2cc(-c3cnn(CCC(C)C)c3)cnc2N)c1F.Cc1c(OCCN2CCCCC2)ccc(-n2nnnc2-c2cc(-c3cnn(CC(C)C)c3)cnc2N)c1F.
What is the InChIKey of 5-(3-chloro-4-fluorophenyl)-3-[1-[2-fluoro-3-methyl-4-(2-pyrrolidin-1-ylethoxy)phenyl]tetrazol-5-yl]pyridin-2-amine;3-[1-[2-fluoro-3-methyl-4-(2-piperidin-1-ylethoxy)phenyl]tetrazol-5-yl]-5-[1-(2-methylpropyl)pyrazol-4-yl]pyridin-2-amine;3-[1-[2-fluoro-3-methyl-4-(2-pyrrolidin-1-ylethoxy)phenyl]tetrazol-5-yl]-5-[1-(3-methylbutyl)pyrazol-4-yl]pyridin-2-amine;3-[1-[2-fluoro-3-methyl-4-(2-pyrrolidin-1-ylethoxy)phenyl]tetrazol-5-yl]-5-pyrimidin-5-ylpyridin-2-amine?
The InChIKey is FVIGAXCMBBHMOG-UHFFFAOYSA-N. The full InChI is InChI=1S/2C27H34FN9O.C25H24ClF2N7O.C23H24FN9O/c1-18(2)8-11-36-17-21(16-31-36)20-14-22(26(29)30-15-20)27-32-33-34-37(27)23-6-7-24(19(3)25(23)28)38-13-12-35-9-4-5-10-35;1-18(2)16-36-17-21(15-31-36)20-13-22(26(29)30-14-20)27-32-33-34-37(27)23-7-8-24(19(3)25(23)28)38-12-11-35-9-5-4-6-10-35;1-15-22(36-11-10-34-8-2-3-9-34)7-6-21(23(15)28)35-25(31-32-33-35)18-12-17(14-30-24(18)29)16-4-5-20(27)19(26)13-16;1-15-20(34-9-8-32-6-2-3-7-32)5-4-19(21(15)24)33-23(29-30-31-33)18-10-16(13-28-22(18)25)17-11-26-14-27-12-17/h6-7,14-18H,4-5,8-13H2,1-3H3,(H2,29,30);7-8,13-15,17-18H,4-6,9-12,16H2,1-3H3,(H2,29,30);4-7,12-14H,2-3,8-11H2,1H3,(H2,29,30);4-5,10-14H,2-3,6-9H2,1H3,(H2,25,28).
What are the key properties of 5-(3-chloro-4-fluorophenyl)-3-[1-[2-fluoro-3-methyl-4-(2-pyrrolidin-1-ylethoxy)phenyl]tetrazol-5-yl]pyridin-2-amine;3-[1-[2-fluoro-3-methyl-4-(2-piperidin-1-ylethoxy)phenyl]tetrazol-5-yl]-5-[1-(2-methylpropyl)pyrazol-4-yl]pyridin-2-amine;3-[1-[2-fluoro-3-methyl-4-(2-pyrrolidin-1-ylethoxy)phenyl]tetrazol-5-yl]-5-[1-(3-methylbutyl)pyrazol-4-yl]pyridin-2-amine;3-[1-[2-fluoro-3-methyl-4-(2-pyrrolidin-1-ylethoxy)phenyl]tetrazol-5-yl]-5-pyrimidin-5-ylpyridin-2-amine?
5-(3-chloro-4-fluorophenyl)-3-[1-[2-fluoro-3-methyl-4-(2-pyrrolidin-1-ylethoxy)phenyl]tetrazol-5-yl]pyridin-2-amine;3-[1-[2-fluoro-3-methyl-4-(2-piperidin-1-ylethoxy)phenyl]tetrazol-5-yl]-5-[1-(2-methylpropyl)pyrazol-4-yl]pyridin-2-amine;3-[1-[2-fluoro-3-methyl-4-(2-pyrrolidin-1-ylethoxy)phenyl]tetrazol-5-yl]-5-[1-(3-methylbutyl)pyrazol-4-yl]pyridin-2-amine;3-[1-[2-fluoro-3-methyl-4-(2-pyrrolidin-1-ylethoxy)phenyl]tetrazol-5-yl]-5-pyrimidin-5-ylpyridin-2-amine has a molecular weight of 2012.73 g/mol, XLogP of 15.65, 33 rotatable bonds, 4 hydrogen bond donors, and 38 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-chloro-4-fluorophenyl)-3-[1-[2-fluoro-3-methyl-4-(2-pyrrolidin-1-ylethoxy)phenyl]tetrazol-5-yl]pyridin-2-amine;3-[1-[2-fluoro-3-methyl-4-(2-piperidin-1-ylethoxy)phenyl]tetrazol-5-yl]-5-[1-(2-methylpropyl)pyrazol-4-yl]pyridin-2-amine;3-[1-[2-fluoro-3-methyl-4-(2-pyrrolidin-1-ylethoxy)phenyl]tetrazol-5-yl]-5-[1-(3-methylbutyl)pyrazol-4-yl]pyridin-2-amine;3-[1-[2-fluoro-3-methyl-4-(2-pyrrolidin-1-ylethoxy)phenyl]tetrazol-5-yl]-5-pyrimidin-5-ylpyridin-2-amine is sourced from PubChem (CID 158152861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).