tert-butyl N-methyl-N-(2-oxoethyl)carbamate;3-[[1-[1-[2-(dimethylamino)ethyl]piperidin-3-yl]-4-phenylpyrazol-5-yl]methyl]pyridine-4-carboxylic acid;3-[[1-[1-[2-(methylamino)ethyl]piperidin-3-yl]-4-phenylpyrazol-5-yl]methyl]pyridine-4-carboxylic acid;methyl 3-[[1-[1-[2-(dimethylamino)ethyl]piperidin-3-yl]-4-phenylpyrazol-5-yl]methyl]pyridine-4-carboxylate;methyl 3-[[1-[1-[2-(methylamino)ethyl]piperidin-3-yl]-4-phenylpyrazol-5-yl]methyl]pyridine-4-carboxylate;methyl 3-[[1-[1-[2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]ethyl]piperidin-3-yl]-4-phenylpyrazol-5-yl]methyl]pyridine-4-carboxylate;methyl 3-[(4-phenyl-1-piperidin-3-ylpyrazol-5-yl)methyl]pyridine-4-carboxylate

C160H202N30O17 — CID 160760650

IUPACtert-butyl N-methyl-N-(2-oxoethyl)carbamate;3-[[1-[1-[2-(dimethylamino)ethyl]piperidin-3-yl]-4-phenylpyrazol-5-yl]methyl]pyridine-4-carboxylic acid;3-[[1-[1-[2-(methylamino)ethyl]piperidin-3-yl]-4-phenylpyrazol-5-yl]methyl]pyridine-4-carboxylic acid;methyl 3-[[1-[1-[2-(dimethylamino)ethyl]piperidin-3-yl]-4-phenylpyrazol-5-yl]methyl]pyridine-4-carboxylate;methyl 3-[[1-[1-[2-(methylamino)ethyl]piperidin-3-yl]-4-phenylpyrazol-5-yl]methyl]pyridine-4-carboxylate;methyl 3-[[1-[1-[2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]ethyl]piperidin-3-yl]-4-phenylpyrazol-5-yl]methyl]pyridine-4-carboxylate;methyl 3-[(4-phenyl-1-piperidin-3-ylpyrazol-5-yl)methyl]pyridine-4-carboxylate
SMILESCN(C)CCN1CCCC(n2ncc(-c3ccccc3)c2Cc2cnccc2C(=O)O)C1.CN(CC=O)C(=O)OC(C)(C)C.CNCCN1CCCC(n2ncc(-c3ccccc3)c2Cc2cnccc2C(=O)O)C1.CNCCN1CCCC(n2ncc(-c3ccccc3)c2Cc2cnccc2C(=O)OC)C1.COC(=O)c1ccncc1Cc1c(-c2ccccc2)cnn1C1CCCN(CCN(C)C(=O)OC(C)(C)C)C1.COC(=O)c1ccncc1Cc1c(-c2ccccc2)cnn1C1CCCN(CCN(C)C)C1.COC(=O)c1ccncc1Cc1c(-c2ccccc2)cnn1C1CCCNC1
InChIInChI=1S/C30H39N5O4.C26H33N5O2.2C25H31N5O2.C24H29N5O2.C22H24N4O2.C8H15NO3/c1-30(2,3)39-29(37)33(4)16-17-34-15-9-12-24(21-34)35-27(26(20-32-35)22-10-7-6-8-11-22)18-23-19-31-14-13-25(23)28(36)38-5;1-29(2)14-15-30-13-7-10-22(19-30)31-25(24(18-28-31)20-8-5-4-6-9-20)16-21-17-27-12-11-23(21)26(32)33-3;1-26-12-14-29-13-6-9-21(18-29)30-24(23(17-28-30)19-7-4-3-5-8-19)15-20-16-27-11-10-22(20)25(31)32-2;1-28(2)13-14-29-12-6-9-21(18-29)30-24(15-20-16-26-11-10-22(20)25(31)32)23(17-27-30)19-7-4-3-5-8-19;1-25-11-13-28-12-5-8-20(17-28)29-23(14-19-15-26-10-9-21(19)24(30)31)22(16-27-29)18-6-3-2-4-7-18;1-28-22(27)19-9-11-24-13-17(19)12-21-20(16-6-3-2-4-7-16)15-25-26(21)18-8-5-10-23-14-18;1-8(2,3)12-7(11)9(4)5-6-10/h6-8,10-11,13-14,19-20,24H,9,12,15-18,21H2,1-5H3;4-6,8-9,11-12,17-18,22H,7,10,13-16,19H2,1-3H3;3-5,7-8,10-11,16-17,21,26H,6,9,12-15,18H2,1-2H3;3-5,7-8,10-11,16-17,21H,6,9,12-15,18H2,1-2H3,(H,31,32);2-4,6-7,9-10,15-16,20,25H,5,8,11-14,17H2,1H3,(H,30,31);2-4,6-7,9,11,13,15,18,23H,5,8,10,12,14H2,1H3;6H,5H2,1-4H3
InChIKeyRYACVRGDVYHRQK-UHFFFAOYSA-N
MW2817.57 g/mol
LogP22.35
Rot. Bonds47

About tert-butyl N-methyl-N-(2-oxoethyl)carbamate;3-[[1-[1-[2-(dimethylamino)ethyl]piperidin-3-yl]-4-phenylpyrazol-5-yl]methyl]pyridine-4-carboxylic acid;3-[[1-[1-[2-(methylamino)ethyl]piperidin-3-yl]-4-phenylpyrazol-5-yl]methyl]pyridine-4-carboxylic acid;methyl 3-[[1-[1-[2-(dimethylamino)ethyl]piperidin-3-yl]-4-phenylpyrazol-5-yl]methyl]pyridine-4-carboxylate;methyl 3-[[1-[1-[2-(methylamino)ethyl]piperidin-3-yl]-4-phenylpyrazol-5-yl]methyl]pyridine-4-carboxylate;methyl 3-[[1-[1-[2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]ethyl]piperidin-3-yl]-4-phenylpyrazol-5-yl]methyl]pyridine-4-carboxylate;methyl 3-[(4-phenyl-1-piperidin-3-ylpyrazol-5-yl)methyl]pyridine-4-carboxylate

tert-butyl N-methyl-N-(2-oxoethyl)carbamate;3-[[1-[1-[2-(dimethylamino)ethyl]piperidin-3-yl]-4-phenylpyrazol-5-yl]methyl]pyridine-4-carboxylic acid;3-[[1-[1-[2-(methylamino)ethyl]piperidin-3-yl]-4-phenylpyrazol-5-yl]methyl]pyridine-4-carboxylic acid;methyl 3-[[1-[1-[2-(dimethylamino)ethyl]piperidin-3-yl]-4-phenylpyrazol-5-yl]methyl]pyridine-4-carboxylate;methyl 3-[[1-[1-[2-(methylamino)ethyl]piperidin-3-yl]-4-phenylpyrazol-5-yl]methyl]pyridine-4-carboxylate;methyl 3-[[1-[1-[2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]ethyl]piperidin-3-yl]-4-phenylpyrazol-5-yl]methyl]pyridine-4-carboxylate;methyl 3-[(4-phenyl-1-piperidin-3-ylpyrazol-5-yl)methyl]pyridine-4-carboxylate (PubChem CID 160760650) has the molecular formula C160H202N30O17 and a molecular weight of 2817.57 g/mol. Its IUPAC name is tert-butyl N-methyl-N-(2-oxoethyl)carbamate;3-[[1-[1-[2-(dimethylamino)ethyl]piperidin-3-yl]-4-phenylpyrazol-5-yl]methyl]pyridine-4-carboxylic acid;3-[[1-[1-[2-(methylamino)ethyl]piperidin-3-yl]-4-phenylpyrazol-5-yl]methyl]pyridine-4-carboxylic acid;methyl 3-[[1-[1-[2-(dimethylamino)ethyl]piperidin-3-yl]-4-phenylpyrazol-5-yl]methyl]pyridine-4-carboxylate;methyl 3-[[1-[1-[2-(methylamino)ethyl]piperidin-3-yl]-4-phenylpyrazol-5-yl]methyl]pyridine-4-carboxylate;methyl 3-[[1-[1-[2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]ethyl]piperidin-3-yl]-4-phenylpyrazol-5-yl]methyl]pyridine-4-carboxylate;methyl 3-[(4-phenyl-1-piperidin-3-ylpyrazol-5-yl)methyl]pyridine-4-carboxylate.

Molecular Properties

Compound Nametert-butyl N-methyl-N-(2-oxoethyl)carbamate;3-[[1-[1-[2-(dimethylamino)ethyl]piperidin-3-yl]-4-phenylpyrazol-5-yl]methyl]pyridine-4-carboxylic acid;3-[[1-[1-[2-(methylamino)ethyl]piperidin-3-yl]-4-phenylpyrazol-5-yl]methyl]pyridine-4-carboxylic acid;methyl 3-[[1-[1-[2-(dimethylamino)ethyl]piperidin-3-yl]-4-phenylpyrazol-5-yl]methyl]pyridine-4-carboxylate;methyl 3-[[1-[1-[2-(methylamino)ethyl]piperidin-3-yl]-4-phenylpyrazol-5-yl]methyl]pyridine-4-carboxylate;methyl 3-[[1-[1-[2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]ethyl]piperidin-3-yl]-4-phenylpyrazol-5-yl]methyl]pyridine-4-carboxylate;methyl 3-[(4-phenyl-1-piperidin-3-ylpyrazol-5-yl)methyl]pyridine-4-carboxylate
PubChem CID160760650
Molecular FormulaC160H202N30O17
Molecular Weight2817.57 g/mol
Exact Mass2815.59
IUPAC Nametert-butyl N-methyl-N-(2-oxoethyl)carbamate;3-[[1-[1-[2-(dimethylamino)ethyl]piperidin-3-yl]-4-phenylpyrazol-5-yl]methyl]pyridine-4-carboxylic acid;3-[[1-[1-[2-(methylamino)ethyl]piperidin-3-yl]-4-phenylpyrazol-5-yl]methyl]pyridine-4-carboxylic acid;methyl 3-[[1-[1-[2-(dimethylamino)ethyl]piperidin-3-yl]-4-phenylpyrazol-5-yl]methyl]pyridine-4-carboxylate;methyl 3-[[1-[1-[2-(methylamino)ethyl]piperidin-3-yl]-4-phenylpyrazol-5-yl]methyl]pyridine-4-carboxylate;methyl 3-[[1-[1-[2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]ethyl]piperidin-3-yl]-4-phenylpyrazol-5-yl]methyl]pyridine-4-carboxylate;methyl 3-[(4-phenyl-1-piperidin-3-ylpyrazol-5-yl)methyl]pyridine-4-carboxylate
SMILESCN(C)CCN1CCCC(n2ncc(-c3ccccc3)c2Cc2cnccc2C(=O)O)C1.CN(CC=O)C(=O)OC(C)(C)C.CNCCN1CCCC(n2ncc(-c3ccccc3)c2Cc2cnccc2C(=O)O)C1.CNCCN1CCCC(n2ncc(-c3ccccc3)c2Cc2cnccc2C(=O)OC)C1.COC(=O)c1ccncc1Cc1c(-c2ccccc2)cnn1C1CCCN(CCN(C)C(=O)OC(C)(C)C)C1.COC(=O)c1ccncc1Cc1c(-c2ccccc2)cnn1C1CCCN(CCN(C)C)C1.COC(=O)c1ccncc1Cc1c(-c2ccccc2)cnn1C1CCCNC1
InChIInChI=1S/C30H39N5O4.C26H33N5O2.2C25H31N5O2.C24H29N5O2.C22H24N4O2.C8H15NO3/c1-30(2,3)39-29(37)33(4)16-17-34-15-9-12-24(21-34)35-27(26(20-32-35)22-10-7-6-8-11-22)18-23-19-31-14-13-25(23)28(36)38-5;1-29(2)14-15-30-13-7-10-22(19-30)31-25(24(18-28-31)20-8-5-4-6-9-20)16-21-17-27-12-11-23(21)26(32)33-3;1-26-12-14-29-13-6-9-21(18-29)30-24(23(17-28-30)19-7-4-3-5-8-19)15-20-16-27-11-10-22(20)25(31)32-2;1-28(2)13-14-29-12-6-9-21(18-29)30-24(15-20-16-26-11-10-22(20)25(31)32)23(17-27-30)19-7-4-3-5-8-19;1-25-11-13-28-12-5-8-20(17-28)29-23(14-19-15-26-10-9-21(19)24(30)31)22(16-27-29)18-6-3-2-4-7-18;1-28-22(27)19-9-11-24-13-17(19)12-21-20(16-6-3-2-4-7-16)15-25-26(21)18-8-5-10-23-14-18;1-8(2,3)12-7(11)9(4)5-6-10/h6-8,10-11,13-14,19-20,24H,9,12,15-18,21H2,1-5H3;4-6,8-9,11-12,17-18,22H,7,10,13-16,19H2,1-3H3;3-5,7-8,10-11,16-17,21,26H,6,9,12-15,18H2,1-2H3;3-5,7-8,10-11,16-17,21H,6,9,12-15,18H2,1-2H3,(H,31,32);2-4,6-7,9-10,15-16,20,25H,5,8,11-14,17H2,1H3,(H,30,31);2-4,6-7,9,11,13,15,18,23H,5,8,10,12,14H2,1H3;6H,5H2,1-4H3
InChIKeyRYACVRGDVYHRQK-UHFFFAOYSA-N
XLogP22.35
TPSA498.98 Ų
H-Bond Donors5
H-Bond Acceptors43
Rotatable Bonds47
Heavy Atoms207
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002817.57
LogP ≤ 522.35
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1043

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}

Analyze tert-butyl N-methyl-N-(2-oxoethyl)carbamate;3-[[1-[1-[2-(dimethylamino)ethyl]piperidin-3-yl]-4-phenylpyrazol-5-yl]methyl]pyridine-4-carboxylic acid;3-[[1-[1-[2-(methylamino)ethyl]piperidin-3-yl]-4-phenylpyrazol-5-yl]methyl]pyridine-4-carboxylic acid;methyl 3-[[1-[1-[2-(dimethylamino)ethyl]piperidin-3-yl]-4-phenylpyrazol-5-yl]methyl]pyridine-4-carboxylate;methyl 3-[[1-[1-[2-(methylamino)ethyl]piperidin-3-yl]-4-phenylpyrazol-5-yl]methyl]pyridine-4-carboxylate;methyl 3-[[1-[1-[2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]ethyl]piperidin-3-yl]-4-phenylpyrazol-5-yl]methyl]pyridine-4-carboxylate;methyl 3-[(4-phenyl-1-piperidin-3-ylpyrazol-5-yl)methyl]pyridine-4-carboxylate with MolForge

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Related Compounds

sodium;3-[(chloroamino)methyl]-4,6-dimethyl-1H-pyridin-2-one;N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-5-[1-(4-ethylpiperazin-1-yl)ethyl]-6-methyl-1-[1-(oxan-4-yl)pyrazol-4-yl]indolizine-7-carboxamide;6-methyl-1-[1-(oxan-4-yl)pyrazol-4-yl]-5-[1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethyl]indolizine-7-carboxylic acid;propan-2-yl 6-methyl-1-[1-(oxan-4-yl)pyrazol-4-yl]-5-[1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethyl]indolizine-7-carboxylate;hydroxide
CID 159040177
3-(aminomethyl)-4-methoxy-6-methyl-1H-pyridin-2-one;N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methyl-2-(2-methylpyrazol-3-yl)-5-[1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethyl]indolizine-7-carboxamide;6-methyl-2-(2-methylpyrazol-3-yl)-5-[1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethyl]indolizine-7-carboxylic acid;propan-2-yl 6-methyl-2-(2-methylpyrazol-3-yl)-5-[1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethyl]indolizine-7-carboxylate
CID 159043135
3-[[1-(4,4-difluorocyclohexyl)-5-methylindazol-3-yl]methyl]pyridine-4-carboxylic acid;3-[[5-methyl-1-(oxan-3-yl)indazol-3-yl]methyl]pyridine-4-carboxylic acid;3-[[5-methyl-1-(oxan-4-yl)indazol-3-yl]methyl]pyridine-4-carboxylic acid;3-[[5-methyl-1-[(3R)-pyrrolidin-3-yl]indazol-3-yl]methyl]pyridine-4-carboxylic acid;3-[[1-(oxolan-3-yl)-4,5,6,7-tetrahydroindazol-3-yl]methyl]pyridine-4-carboxylic acid
CID 160064903
2-bromo-3-(trifluoromethyl)pyridine;tert-butyl (3S)-3-[[1-cyclopentyl-5-[3-(trifluoromethyl)-2-pyridinyl]pyrazole-3-carbonyl]amino]-5-(3,3-difluoropiperidin-1-yl)pentanoate;(3S)-3-[[1-cyclopentyl-5-[3-(trifluoromethyl)-2-pyridinyl]pyrazole-3-carbonyl]amino]-5-(3,3-difluoropiperidin-1-yl)pentanoic acid;1-cyclopentyl-5-[3-(trifluoromethyl)-2-pyridinyl]pyrazole-3-carboxylic acid;ethyl 1-cyclopentyl-5-[3-(trifluoromethyl)-2-pyridinyl]pyrazole-3-carboxylate
CID 160660418
N-[(3R,4R)-1-benzyl-4-methylpiperidin-3-yl]-3-isocyano-N-methylpyrrolo[1,2-b]pyridazin-4-amine;tert-butyl 2-[(1S,2R)-2-[(3-cyanopyrrolo[1,2-b]pyridazin-4-yl)amino]cyclohexyl]acetate;4-[[1-(2-cyanoacetyl)-4-methylpiperidin-3-yl]amino]pyrrolo[1,2-b]pyridazine-3-carboxamide;methane;4-[[(1R,2S)-2-methylcyclohexyl]amino]pyrrolo[1,2-b]pyridazine-3-carboxamide;4-[[(1S,2R)-2-methylcyclohexyl]amino]pyrrolo[1,2-b]pyridazine-3-carboxamide;4-[(2-methylcyclohexyl)amino]pyrrolo[1,2-b]pyridazine-3-carboxamide;4-[(2-methylcyclohexyl)amino]pyrrolo[1,2-b]pyridazine-3-carboxylic acid;7-methyl-4-[(2-methylcyclohexyl)amino]pyrrolo[1,2-b]pyridazine-3-carboxamide;4-[(4-methylpiperidin-3-yl)amino]pyrrolo[1,2-b]pyridazine-3-carboxamide
CID 157087499
CID 157450581
CID 157450581
CID 157594753
CID 157594753
CID 157612619
CID 157612619
tert-butyl (4R)-4-[4-[(4-methoxycarbonyl-3-pyridinyl)methyl]-5-methylpyrazol-1-yl]azepane-1-carboxylate;cyclobutanone;3-[[1-[(4R)-1-cyclobutylazepan-4-yl]-5-methylpyrazol-4-yl]methyl]pyridine-4-carboxylic acid;methyl 3-[[1-[(4R)-azepan-4-yl]-5-methylpyrazol-4-yl]methyl]pyridine-4-carboxylate;methyl 3-[[1-[(4R)-1-cyclobutylazepan-4-yl]-5-methylpyrazol-4-yl]methyl]pyridine-4-carboxylate
CID 157722187
tert-butyl (4S)-4-[4-[(4-methoxycarbonyl-3-pyridinyl)methyl]-5-methylpyrazol-1-yl]azepane-1-carboxylate;cyclobutanone;3-[[1-[(4S)-1-cyclobutylazepan-4-yl]-5-methylpyrazol-4-yl]methyl]pyridine-4-carboxylic acid;methyl 3-[[1-[(4S)-azepan-4-yl]-5-methylpyrazol-4-yl]methyl]pyridine-4-carboxylate;methyl 3-[[1-[(4S)-1-cyclobutylazepan-4-yl]-5-methylpyrazol-4-yl]methyl]pyridine-4-carboxylate
CID 157722192
3-[[1-(1-Benzoylpiperidin-4-yl)-3-methylpyrazol-4-yl]amino]pyridine-4-carboxylic acid;methyl 3-[[1-(1-benzoylpiperidin-4-yl)-3-methylpyrazol-4-yl]amino]pyridine-4-carboxylate;methyl 3-[(3-methyl-1-piperidin-4-ylpyrazol-4-yl)amino]pyridine-4-carboxylate;methyl 3-[(5-methyl-1-piperidin-4-ylpyrazol-4-yl)amino]pyridine-4-carboxylate
CID 157777947
1-O-tert-butyl 2-O-methyl (2S,5R)-5-aminopiperidine-1,2-dicarboxylate;1-O-tert-butyl 2-O-methyl (2S,5R)-5-[[3-(2-methyl-4-pyridinyl)-1-tritylindazole-5-carbonyl]amino]piperidine-1,2-dicarboxylate;3-(2-methyl-4-pyridinyl)-1-tritylindazole-5-carboxylic acid
CID 157782443

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-methyl-N-(2-oxoethyl)carbamate;3-[[1-[1-[2-(dimethylamino)ethyl]piperidin-3-yl]-4-phenylpyrazol-5-yl]methyl]pyridine-4-carboxylic acid;3-[[1-[1-[2-(methylamino)ethyl]piperidin-3-yl]-4-phenylpyrazol-5-yl]methyl]pyridine-4-carboxylic acid;methyl 3-[[1-[1-[2-(dimethylamino)ethyl]piperidin-3-yl]-4-phenylpyrazol-5-yl]methyl]pyridine-4-carboxylate;methyl 3-[[1-[1-[2-(methylamino)ethyl]piperidin-3-yl]-4-phenylpyrazol-5-yl]methyl]pyridine-4-carboxylate;methyl 3-[[1-[1-[2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]ethyl]piperidin-3-yl]-4-phenylpyrazol-5-yl]methyl]pyridine-4-carboxylate;methyl 3-[(4-phenyl-1-piperidin-3-ylpyrazol-5-yl)methyl]pyridine-4-carboxylate?
The IUPAC name of tert-butyl N-methyl-N-(2-oxoethyl)carbamate;3-[[1-[1-[2-(dimethylamino)ethyl]piperidin-3-yl]-4-phenylpyrazol-5-yl]methyl]pyridine-4-carboxylic acid;3-[[1-[1-[2-(methylamino)ethyl]piperidin-3-yl]-4-phenylpyrazol-5-yl]methyl]pyridine-4-carboxylic acid;methyl 3-[[1-[1-[2-(dimethylamino)ethyl]piperidin-3-yl]-4-phenylpyrazol-5-yl]methyl]pyridine-4-carboxylate;methyl 3-[[1-[1-[2-(methylamino)ethyl]piperidin-3-yl]-4-phenylpyrazol-5-yl]methyl]pyridine-4-carboxylate;methyl 3-[[1-[1-[2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]ethyl]piperidin-3-yl]-4-phenylpyrazol-5-yl]methyl]pyridine-4-carboxylate;methyl 3-[(4-phenyl-1-piperidin-3-ylpyrazol-5-yl)methyl]pyridine-4-carboxylate (CID 160760650) is tert-butyl N-methyl-N-(2-oxoethyl)carbamate;3-[[1-[1-[2-(dimethylamino)ethyl]piperidin-3-yl]-4-phenylpyrazol-5-yl]methyl]pyridine-4-carboxylic acid;3-[[1-[1-[2-(methylamino)ethyl]piperidin-3-yl]-4-phenylpyrazol-5-yl]methyl]pyridine-4-carboxylic acid;methyl 3-[[1-[1-[2-(dimethylamino)ethyl]piperidin-3-yl]-4-phenylpyrazol-5-yl]methyl]pyridine-4-carboxylate;methyl 3-[[1-[1-[2-(methylamino)ethyl]piperidin-3-yl]-4-phenylpyrazol-5-yl]methyl]pyridine-4-carboxylate;methyl 3-[[1-[1-[2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]ethyl]piperidin-3-yl]-4-phenylpyrazol-5-yl]methyl]pyridine-4-carboxylate;methyl 3-[(4-phenyl-1-piperidin-3-ylpyrazol-5-yl)methyl]pyridine-4-carboxylate.
What is the SMILES notation for tert-butyl N-methyl-N-(2-oxoethyl)carbamate;3-[[1-[1-[2-(dimethylamino)ethyl]piperidin-3-yl]-4-phenylpyrazol-5-yl]methyl]pyridine-4-carboxylic acid;3-[[1-[1-[2-(methylamino)ethyl]piperidin-3-yl]-4-phenylpyrazol-5-yl]methyl]pyridine-4-carboxylic acid;methyl 3-[[1-[1-[2-(dimethylamino)ethyl]piperidin-3-yl]-4-phenylpyrazol-5-yl]methyl]pyridine-4-carboxylate;methyl 3-[[1-[1-[2-(methylamino)ethyl]piperidin-3-yl]-4-phenylpyrazol-5-yl]methyl]pyridine-4-carboxylate;methyl 3-[[1-[1-[2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]ethyl]piperidin-3-yl]-4-phenylpyrazol-5-yl]methyl]pyridine-4-carboxylate;methyl 3-[(4-phenyl-1-piperidin-3-ylpyrazol-5-yl)methyl]pyridine-4-carboxylate?
The canonical SMILES for tert-butyl N-methyl-N-(2-oxoethyl)carbamate;3-[[1-[1-[2-(dimethylamino)ethyl]piperidin-3-yl]-4-phenylpyrazol-5-yl]methyl]pyridine-4-carboxylic acid;3-[[1-[1-[2-(methylamino)ethyl]piperidin-3-yl]-4-phenylpyrazol-5-yl]methyl]pyridine-4-carboxylic acid;methyl 3-[[1-[1-[2-(dimethylamino)ethyl]piperidin-3-yl]-4-phenylpyrazol-5-yl]methyl]pyridine-4-carboxylate;methyl 3-[[1-[1-[2-(methylamino)ethyl]piperidin-3-yl]-4-phenylpyrazol-5-yl]methyl]pyridine-4-carboxylate;methyl 3-[[1-[1-[2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]ethyl]piperidin-3-yl]-4-phenylpyrazol-5-yl]methyl]pyridine-4-carboxylate;methyl 3-[(4-phenyl-1-piperidin-3-ylpyrazol-5-yl)methyl]pyridine-4-carboxylate is CN(C)CCN1CCCC(n2ncc(-c3ccccc3)c2Cc2cnccc2C(=O)O)C1.CN(CC=O)C(=O)OC(C)(C)C.CNCCN1CCCC(n2ncc(-c3ccccc3)c2Cc2cnccc2C(=O)O)C1.CNCCN1CCCC(n2ncc(-c3ccccc3)c2Cc2cnccc2C(=O)OC)C1.COC(=O)c1ccncc1Cc1c(-c2ccccc2)cnn1C1CCCN(CCN(C)C(=O)OC(C)(C)C)C1.COC(=O)c1ccncc1Cc1c(-c2ccccc2)cnn1C1CCCN(CCN(C)C)C1.COC(=O)c1ccncc1Cc1c(-c2ccccc2)cnn1C1CCCNC1.
What is the InChIKey of tert-butyl N-methyl-N-(2-oxoethyl)carbamate;3-[[1-[1-[2-(dimethylamino)ethyl]piperidin-3-yl]-4-phenylpyrazol-5-yl]methyl]pyridine-4-carboxylic acid;3-[[1-[1-[2-(methylamino)ethyl]piperidin-3-yl]-4-phenylpyrazol-5-yl]methyl]pyridine-4-carboxylic acid;methyl 3-[[1-[1-[2-(dimethylamino)ethyl]piperidin-3-yl]-4-phenylpyrazol-5-yl]methyl]pyridine-4-carboxylate;methyl 3-[[1-[1-[2-(methylamino)ethyl]piperidin-3-yl]-4-phenylpyrazol-5-yl]methyl]pyridine-4-carboxylate;methyl 3-[[1-[1-[2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]ethyl]piperidin-3-yl]-4-phenylpyrazol-5-yl]methyl]pyridine-4-carboxylate;methyl 3-[(4-phenyl-1-piperidin-3-ylpyrazol-5-yl)methyl]pyridine-4-carboxylate?
The InChIKey is RYACVRGDVYHRQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H39N5O4.C26H33N5O2.2C25H31N5O2.C24H29N5O2.C22H24N4O2.C8H15NO3/c1-30(2,3)39-29(37)33(4)16-17-34-15-9-12-24(21-34)35-27(26(20-32-35)22-10-7-6-8-11-22)18-23-19-31-14-13-25(23)28(36)38-5;1-29(2)14-15-30-13-7-10-22(19-30)31-25(24(18-28-31)20-8-5-4-6-9-20)16-21-17-27-12-11-23(21)26(32)33-3;1-26-12-14-29-13-6-9-21(18-29)30-24(23(17-28-30)19-7-4-3-5-8-19)15-20-16-27-11-10-22(20)25(31)32-2;1-28(2)13-14-29-12-6-9-21(18-29)30-24(15-20-16-26-11-10-22(20)25(31)32)23(17-27-30)19-7-4-3-5-8-19;1-25-11-13-28-12-5-8-20(17-28)29-23(14-19-15-26-10-9-21(19)24(30)31)22(16-27-29)18-6-3-2-4-7-18;1-28-22(27)19-9-11-24-13-17(19)12-21-20(16-6-3-2-4-7-16)15-25-26(21)18-8-5-10-23-14-18;1-8(2,3)12-7(11)9(4)5-6-10/h6-8,10-11,13-14,19-20,24H,9,12,15-18,21H2,1-5H3;4-6,8-9,11-12,17-18,22H,7,10,13-16,19H2,1-3H3;3-5,7-8,10-11,16-17,21,26H,6,9,12-15,18H2,1-2H3;3-5,7-8,10-11,16-17,21H,6,9,12-15,18H2,1-2H3,(H,31,32);2-4,6-7,9-10,15-16,20,25H,5,8,11-14,17H2,1H3,(H,30,31);2-4,6-7,9,11,13,15,18,23H,5,8,10,12,14H2,1H3;6H,5H2,1-4H3.
What are the key properties of tert-butyl N-methyl-N-(2-oxoethyl)carbamate;3-[[1-[1-[2-(dimethylamino)ethyl]piperidin-3-yl]-4-phenylpyrazol-5-yl]methyl]pyridine-4-carboxylic acid;3-[[1-[1-[2-(methylamino)ethyl]piperidin-3-yl]-4-phenylpyrazol-5-yl]methyl]pyridine-4-carboxylic acid;methyl 3-[[1-[1-[2-(dimethylamino)ethyl]piperidin-3-yl]-4-phenylpyrazol-5-yl]methyl]pyridine-4-carboxylate;methyl 3-[[1-[1-[2-(methylamino)ethyl]piperidin-3-yl]-4-phenylpyrazol-5-yl]methyl]pyridine-4-carboxylate;methyl 3-[[1-[1-[2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]ethyl]piperidin-3-yl]-4-phenylpyrazol-5-yl]methyl]pyridine-4-carboxylate;methyl 3-[(4-phenyl-1-piperidin-3-ylpyrazol-5-yl)methyl]pyridine-4-carboxylate?
tert-butyl N-methyl-N-(2-oxoethyl)carbamate;3-[[1-[1-[2-(dimethylamino)ethyl]piperidin-3-yl]-4-phenylpyrazol-5-yl]methyl]pyridine-4-carboxylic acid;3-[[1-[1-[2-(methylamino)ethyl]piperidin-3-yl]-4-phenylpyrazol-5-yl]methyl]pyridine-4-carboxylic acid;methyl 3-[[1-[1-[2-(dimethylamino)ethyl]piperidin-3-yl]-4-phenylpyrazol-5-yl]methyl]pyridine-4-carboxylate;methyl 3-[[1-[1-[2-(methylamino)ethyl]piperidin-3-yl]-4-phenylpyrazol-5-yl]methyl]pyridine-4-carboxylate;methyl 3-[[1-[1-[2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]ethyl]piperidin-3-yl]-4-phenylpyrazol-5-yl]methyl]pyridine-4-carboxylate;methyl 3-[(4-phenyl-1-piperidin-3-ylpyrazol-5-yl)methyl]pyridine-4-carboxylate has a molecular weight of 2817.57 g/mol, XLogP of 22.35, 47 rotatable bonds, 5 hydrogen bond donors, and 43 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-methyl-N-(2-oxoethyl)carbamate;3-[[1-[1-[2-(dimethylamino)ethyl]piperidin-3-yl]-4-phenylpyrazol-5-yl]methyl]pyridine-4-carboxylic acid;3-[[1-[1-[2-(methylamino)ethyl]piperidin-3-yl]-4-phenylpyrazol-5-yl]methyl]pyridine-4-carboxylic acid;methyl 3-[[1-[1-[2-(dimethylamino)ethyl]piperidin-3-yl]-4-phenylpyrazol-5-yl]methyl]pyridine-4-carboxylate;methyl 3-[[1-[1-[2-(methylamino)ethyl]piperidin-3-yl]-4-phenylpyrazol-5-yl]methyl]pyridine-4-carboxylate;methyl 3-[[1-[1-[2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]ethyl]piperidin-3-yl]-4-phenylpyrazol-5-yl]methyl]pyridine-4-carboxylate;methyl 3-[(4-phenyl-1-piperidin-3-ylpyrazol-5-yl)methyl]pyridine-4-carboxylate is sourced from PubChem (CID 160760650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).