2-[3-(aminomethyl)phenyl]-N-[3-(1-cyclopenta-1,4-dien-1-yl-3-cyclopropylpropyl)phenyl]-5-methylpyrazole-3-carboxamide;2-[3-(aminomethyl)phenyl]-N-[5-[(cyclopropylmethylamino)-(3-methylphenyl)methyl]-2-fluorophenyl]-5-methylpyrazole-3-carboxamide;2-[3-(aminomethyl)phenyl]-N-[5-[(cyclopropylmethylamino)-pyridin-2-ylmethyl]-2-fluorophenyl]-5-methylpyrazole-3-carboxamide;2-[3-(aminomethyl)phenyl]-N-[5-[(cyclopropylmethylamino)-(1,3-thiazol-2-yl)methyl]-2-fluorophenyl]-5-methylpyrazole-3-carboxamide

C113H120F3N21O4S — CID 157058623

IUPAC2-[3-(aminomethyl)phenyl]-N-[3-(1-cyclopenta-1,4-dien-1-yl-3-cyclopropylpropyl)phenyl]-5-methylpyrazole-3-carboxamide;2-[3-(aminomethyl)phenyl]-N-[5-[(cyclopropylmethylamino)-(3-methylphenyl)methyl]-2-fluorophenyl]-5-methylpyrazole-3-carboxamide;2-[3-(aminomethyl)phenyl]-N-[5-[(cyclopropylmethylamino)-pyridin-2-ylmethyl]-2-fluorophenyl]-5-methylpyrazole-3-carboxamide;2-[3-(aminomethyl)phenyl]-N-[5-[(cyclopropylmethylamino)-(1,3-thiazol-2-yl)methyl]-2-fluorophenyl]-5-methylpyrazole-3-carboxamide
SMILESCc1cc(C(=O)Nc2cc(C(NCC3CC3)c3ccccn3)ccc2F)n(-c2cccc(CN)c2)n1.Cc1cc(C(=O)Nc2cc(C(NCC3CC3)c3nccs3)ccc2F)n(-c2cccc(CN)c2)n1.Cc1cc(C(=O)Nc2cccc(C(CCC3CC3)C3=CCC=C3)c2)n(-c2cccc(CN)c2)n1.Cc1cccc(C(NCC2CC2)c2ccc(F)c(NC(=O)c3cc(C)nn3-c3cccc(CN)c3)c2)c1
InChIInChI=1S/C30H32FN5O.C29H32N4O.C28H29FN6O.C26H27FN6OS/c1-19-5-3-7-23(13-19)29(33-18-21-9-10-21)24-11-12-26(31)27(16-24)34-30(37)28-14-20(2)35-36(28)25-8-4-6-22(15-25)17-32;1-20-16-28(33(32-20)26-11-4-6-22(17-26)19-30)29(34)31-25-10-5-9-24(18-25)27(15-14-21-12-13-21)23-7-2-3-8-23;1-18-13-26(35(34-18)22-6-4-5-20(14-22)16-30)28(36)33-25-15-21(10-11-23(25)29)27(32-17-19-8-9-19)24-7-2-3-12-31-24;1-16-11-23(33(32-16)20-4-2-3-18(12-20)14-28)25(34)31-22-13-19(7-8-21(22)27)24(26-29-9-10-35-26)30-15-17-5-6-17/h3-8,11-16,21,29,33H,9-10,17-18,32H2,1-2H3,(H,34,37);2,4-11,16-18,21,27H,3,12-15,19,30H2,1H3,(H,31,34);2-7,10-15,19,27,32H,8-9,16-17,30H2,1H3,(H,33,36);2-4,7-13,17,24,30H,5-6,14-15,28H2,1H3,(H,31,34)
InChIKeyABAZXJMSKIFDHL-UHFFFAOYSA-N
MW1925.41 g/mol
LogP20.57
Rot. Bonds36

About 2-[3-(aminomethyl)phenyl]-N-[3-(1-cyclopenta-1,4-dien-1-yl-3-cyclopropylpropyl)phenyl]-5-methylpyrazole-3-carboxamide;2-[3-(aminomethyl)phenyl]-N-[5-[(cyclopropylmethylamino)-(3-methylphenyl)methyl]-2-fluorophenyl]-5-methylpyrazole-3-carboxamide;2-[3-(aminomethyl)phenyl]-N-[5-[(cyclopropylmethylamino)-pyridin-2-ylmethyl]-2-fluorophenyl]-5-methylpyrazole-3-carboxamide;2-[3-(aminomethyl)phenyl]-N-[5-[(cyclopropylmethylamino)-(1,3-thiazol-2-yl)methyl]-2-fluorophenyl]-5-methylpyrazole-3-carboxamide

2-[3-(aminomethyl)phenyl]-N-[3-(1-cyclopenta-1,4-dien-1-yl-3-cyclopropylpropyl)phenyl]-5-methylpyrazole-3-carboxamide;2-[3-(aminomethyl)phenyl]-N-[5-[(cyclopropylmethylamino)-(3-methylphenyl)methyl]-2-fluorophenyl]-5-methylpyrazole-3-carboxamide;2-[3-(aminomethyl)phenyl]-N-[5-[(cyclopropylmethylamino)-pyridin-2-ylmethyl]-2-fluorophenyl]-5-methylpyrazole-3-carboxamide;2-[3-(aminomethyl)phenyl]-N-[5-[(cyclopropylmethylamino)-(1,3-thiazol-2-yl)methyl]-2-fluorophenyl]-5-methylpyrazole-3-carboxamide (PubChem CID 157058623) has the molecular formula C113H120F3N21O4S and a molecular weight of 1925.41 g/mol. Its IUPAC name is 2-[3-(aminomethyl)phenyl]-N-[3-(1-cyclopenta-1,4-dien-1-yl-3-cyclopropylpropyl)phenyl]-5-methylpyrazole-3-carboxamide;2-[3-(aminomethyl)phenyl]-N-[5-[(cyclopropylmethylamino)-(3-methylphenyl)methyl]-2-fluorophenyl]-5-methylpyrazole-3-carboxamide;2-[3-(aminomethyl)phenyl]-N-[5-[(cyclopropylmethylamino)-pyridin-2-ylmethyl]-2-fluorophenyl]-5-methylpyrazole-3-carboxamide;2-[3-(aminomethyl)phenyl]-N-[5-[(cyclopropylmethylamino)-(1,3-thiazol-2-yl)methyl]-2-fluorophenyl]-5-methylpyrazole-3-carboxamide.

Molecular Properties

Compound Name2-[3-(aminomethyl)phenyl]-N-[3-(1-cyclopenta-1,4-dien-1-yl-3-cyclopropylpropyl)phenyl]-5-methylpyrazole-3-carboxamide;2-[3-(aminomethyl)phenyl]-N-[5-[(cyclopropylmethylamino)-(3-methylphenyl)methyl]-2-fluorophenyl]-5-methylpyrazole-3-carboxamide;2-[3-(aminomethyl)phenyl]-N-[5-[(cyclopropylmethylamino)-pyridin-2-ylmethyl]-2-fluorophenyl]-5-methylpyrazole-3-carboxamide;2-[3-(aminomethyl)phenyl]-N-[5-[(cyclopropylmethylamino)-(1,3-thiazol-2-yl)methyl]-2-fluorophenyl]-5-methylpyrazole-3-carboxamide
PubChem CID157058623
Molecular FormulaC113H120F3N21O4S
Molecular Weight1925.41 g/mol
Exact Mass1923.95
IUPAC Name2-[3-(aminomethyl)phenyl]-N-[3-(1-cyclopenta-1,4-dien-1-yl-3-cyclopropylpropyl)phenyl]-5-methylpyrazole-3-carboxamide;2-[3-(aminomethyl)phenyl]-N-[5-[(cyclopropylmethylamino)-(3-methylphenyl)methyl]-2-fluorophenyl]-5-methylpyrazole-3-carboxamide;2-[3-(aminomethyl)phenyl]-N-[5-[(cyclopropylmethylamino)-pyridin-2-ylmethyl]-2-fluorophenyl]-5-methylpyrazole-3-carboxamide;2-[3-(aminomethyl)phenyl]-N-[5-[(cyclopropylmethylamino)-(1,3-thiazol-2-yl)methyl]-2-fluorophenyl]-5-methylpyrazole-3-carboxamide
SMILESCc1cc(C(=O)Nc2cc(C(NCC3CC3)c3ccccn3)ccc2F)n(-c2cccc(CN)c2)n1.Cc1cc(C(=O)Nc2cc(C(NCC3CC3)c3nccs3)ccc2F)n(-c2cccc(CN)c2)n1.Cc1cc(C(=O)Nc2cccc(C(CCC3CC3)C3=CCC=C3)c2)n(-c2cccc(CN)c2)n1.Cc1cccc(C(NCC2CC2)c2ccc(F)c(NC(=O)c3cc(C)nn3-c3cccc(CN)c3)c2)c1
InChIInChI=1S/C30H32FN5O.C29H32N4O.C28H29FN6O.C26H27FN6OS/c1-19-5-3-7-23(13-19)29(33-18-21-9-10-21)24-11-12-26(31)27(16-24)34-30(37)28-14-20(2)35-36(28)25-8-4-6-22(15-25)17-32;1-20-16-28(33(32-20)26-11-4-6-22(17-26)19-30)29(34)31-25-10-5-9-24(18-25)27(15-14-21-12-13-21)23-7-2-3-8-23;1-18-13-26(35(34-18)22-6-4-5-20(14-22)16-30)28(36)33-25-15-21(10-11-23(25)29)27(32-17-19-8-9-19)24-7-2-3-12-31-24;1-16-11-23(33(32-16)20-4-2-3-18(12-20)14-28)25(34)31-22-13-19(7-8-21(22)27)24(26-29-9-10-35-26)30-15-17-5-6-17/h3-8,11-16,21,29,33H,9-10,17-18,32H2,1-2H3,(H,34,37);2,4-11,16-18,21,27H,3,12-15,19,30H2,1H3,(H,31,34);2-7,10-15,19,27,32H,8-9,16-17,30H2,1H3,(H,33,36);2-4,7-13,17,24,30H,5-6,14-15,28H2,1H3,(H,31,34)
InChIKeyABAZXJMSKIFDHL-UHFFFAOYSA-N
XLogP20.57
TPSA353.63 Ų
H-Bond Donors11
H-Bond Acceptors22
Rotatable Bonds36
Heavy Atoms142
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001925.41
LogP ≤ 520.57
H-Bond Donors ≤ 511
H-Bond Acceptors ≤ 1022

Analyze 2-[3-(aminomethyl)phenyl]-N-[3-(1-cyclopenta-1,4-dien-1-yl-3-cyclopropylpropyl)phenyl]-5-methylpyrazole-3-carboxamide;2-[3-(aminomethyl)phenyl]-N-[5-[(cyclopropylmethylamino)-(3-methylphenyl)methyl]-2-fluorophenyl]-5-methylpyrazole-3-carboxamide;2-[3-(aminomethyl)phenyl]-N-[5-[(cyclopropylmethylamino)-pyridin-2-ylmethyl]-2-fluorophenyl]-5-methylpyrazole-3-carboxamide;2-[3-(aminomethyl)phenyl]-N-[5-[(cyclopropylmethylamino)-(1,3-thiazol-2-yl)methyl]-2-fluorophenyl]-5-methylpyrazole-3-carboxamide with MolForge

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Related Compounds

1-(3-(Aminomethyl)phenyl)-N-(5-((cyclopropylmethylamino)(thiazol-2-yl)methyl)-2-fluorophenyl)-3-(trifluoromethyl)-1H-pyrazole-5-carboxamide
CID 118355606
2-[3-(aminomethyl)phenyl]-N-[5-[(cyclopropylmethylamino)-(1,3-thiazol-2-yl)methyl]-2-fluorophenyl]-5-methylpyrazole-3-carboxamide
CID 126681485
2-[3-[amino-[2-[[3-[[2-[3-(aminomethyl)phenyl]-5-(trifluoromethyl)pyrazole-3-carbonyl]amino]-4-fluorophenyl]-(cyclopropylmethylamino)methyl]-1,3-thiazol-5-yl]methyl]phenyl]-N-[3-[(3-aminophenyl)-(cyclopropylmethylamino)methyl]phenyl]-5-(trifluoromethyl)pyrazole-3-carboxamide
CID 155107536
N-[3-[(cyclopropylamino)methyl]-5-(trifluoromethyl)phenyl]-3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-4-methylbenzamide;N-[3-[(4,4-difluoropiperidin-1-yl)methyl]-5-(trifluoromethyl)phenyl]-3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-4-methylbenzamide;N-[3-[(3,3-difluoropyrrolidin-1-yl)methyl]-5-(trifluoromethyl)phenyl]-3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-4-methylbenzamide;3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-4-methyl-N-[3-propyl-5-(trifluoromethyl)phenyl]benzamide;3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-4-methyl-N-[3-(pyrrolidin-1-ylmethyl)-5-(trifluoromethyl)phenyl]benzamide;4-methyl-N-[3-(4-morpholin-4-ylbutyl)-5-(trifluoromethyl)phenyl]-3-[4-(1,3-thiazol-5-yl)triazol-1-yl]benzamide
CID 159270736
[(4aS,6S)-6-[ethyl-[(1-ethylpyrazol-4-yl)-methylidene-oxo-lambda6-sulfanyl]amino]-1-(4-fluorophenyl)-5,6,7,8-tetrahydro-4H-benzo[f]indazol-4a-yl]-[4-(trifluoromethyl)-2-pyridinyl]methanone;[(4aS,6S)-1-(4-fluorophenyl)-6-[methyl-[methylidene-(1-methylpyrazol-4-yl)-oxo-lambda6-sulfanyl]amino]-5,6,7,8-tetrahydro-4H-benzo[f]indazol-4a-yl]-(5-cyclopropyl-2-pyridinyl)methanone;[(4aS,6S)-1-(4-fluorophenyl)-6-[methyl-[methylidene-(1-methylpyrazol-4-yl)-oxo-lambda6-sulfanyl]amino]-5,6,7,8-tetrahydro-4H-benzo[f]indazol-4a-yl]-(5-cyclopropyl-1,3-thiazol-2-yl)methanone;[(4aS,6S)-1-(4-fluorophenyl)-6-[methyl-[methylidene-(1-methylpyrazol-4-yl)-oxo-lambda6-sulfanyl]amino]-5,6,7,8-tetrahydro-4H-benzo[f]indazol-4a-yl]-(1,3-thiazol-2-yl)methanone
CID 159955630
1-ethyl-N-[3-fluoro-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]phenyl]pyrrole-2-carboxamide;4-ethyl-N-[3-fluoro-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]phenyl]-1,2-thiazole-5-carboxamide;2-(1-fluoroethyl)-N-[3-fluoro-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]phenyl]pyrazole-3-carboxamide;N-[3-fluoro-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]phenyl]-3,4-dimethyl-2H-pyrrole-5-carboxamide;N-[3-fluoro-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]phenyl]-2,4-dimethyl-1,3-thiazole-5-carboxamide;N-[3-fluoro-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]phenyl]-4-methylthiophene-3-carboxamide
CID 160049598
1-Anilino-4,4-dimethylpentan-2-one;3,3-dimethyl-1-(5-methyl-1-phenylpyrazol-4-yl)butan-1-one;3,3-dimethyl-1-[1-methyl-5-(trifluoromethyl)pyrazol-4-yl]butan-1-one;3,3-dimethyl-1-phenylbutan-1-one;3,3-dimethyl-1-(1-phenylpyrazol-4-yl)butan-1-one;3,3-dimethyl-1-(5-phenyl-1,3-thiazol-2-yl)butan-1-one;bis(3,3-dimethyl-1-[1-phenyl-5-(trifluoromethyl)pyrazol-4-yl]butan-1-one);1-(2-fluoro-3-phenylphenyl)-3,3-dimethylbutan-1-one;1-(2-fluoro-4-phenylphenyl)-3,3-dimethylbutan-1-one
CID 160306137
N-[3-fluoro-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]phenyl]-1,4-dimethylpyrrole-2-carboxamide;N-[3-fluoro-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]phenyl]-3,5-dimethyl-2H-pyrrole-4-carboxamide;N-[3-fluoro-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]phenyl]-2-methylbenzamide;N-[3-fluoro-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]phenyl]-3-methyl-2H-pyrrole-4-carboxamide;bis(N-[3-fluoro-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]phenyl]-4-methyl-1,3-thiazole-5-carboxamide)
CID 160595374
N-[3-(4-cyclobutylpiperazin-1-yl)-4-fluoro-5-(trifluoromethyl)phenyl]-3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-4-methylbenzamide;N-[3-[4-(cyclopropylmethyl)piperazin-1-yl]-4-fluoro-5-(trifluoromethyl)phenyl]-3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-4-methylbenzamide;N-[3-[2-(dimethylamino)ethylamino]-4-fluoro-5-(trifluoromethyl)phenyl]-3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-4-methylbenzamide;3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-N-[4-fluoro-3-pyrrolidin-1-yl-5-(trifluoromethyl)phenyl]-4-methylbenzamide;N-[4-fluoro-3-(4-methylpiperazin-1-yl)-5-(trifluoromethyl)phenyl]-4-methyl-3-[4-(1,3-thiazol-5-yl)triazol-1-yl]benzamide
CID 160914313
1-Anilino-4,4-dimethylpentan-2-one;3,3-dimethyl-1-(5-methyl-1-phenylpyrazol-4-yl)butan-1-one;3,3-dimethyl-1-phenylbutan-1-one;3,3-dimethyl-1-(1-phenylpyrazol-4-yl)butan-1-one;3,3-dimethyl-1-(5-phenyl-1,3-thiazol-2-yl)butan-1-one;bis(3,3-dimethyl-1-[1-phenyl-5-(trifluoromethyl)pyrazol-4-yl]butan-1-one);1-(2-fluoro-3-phenylphenyl)-3,3-dimethylbutan-1-one;1-(2-fluoro-4-phenylphenyl)-3,3-dimethylbutan-1-one
CID 161465952
2-[3-(aminomethyl)phenyl]-N-[3-[(3-aminophenyl)-(cyclopropylmethylamino)methyl]phenyl]-5-methylpyrazole-3-carboxamide;2-[3-(aminomethyl)phenyl]-N-[3-[2-(cyclopropylamino)-1-hydroxy-1-phenylethyl]phenyl]-5-methylpyrazole-3-carboxamide;2-[3-(aminomethyl)phenyl]-N-[5-[(cyclopropylmethylamino)-pyridin-2-ylmethyl]-2-fluorophenyl]-5-methylpyrazole-3-carboxamide;2-[3-(aminomethyl)phenyl]-N-[5-[(cyclopropylmethylamino)-(1,3-thiazol-2-yl)methyl]-2-fluorophenyl]-5-methylpyrazole-3-carboxamide
CID 157115394
(7R)-1-[(4-fluorophenyl)methyl]-7-methyl-N-[4-(2-oxobut-3-enyl)thiophen-2-yl]-5-(1H-pyrrole-2-carbonyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-3-carboxamide;(7R)-1-[(4-fluorophenyl)methyl]-7-methyl-N-[[3-(prop-2-enoylamino)phenyl]methyl]-5-(1H-pyrrole-2-carbonyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-3-carboxamide;(7R)-1-[(4-fluorophenyl)methyl]-7-methyl-N-[(3R)-1-prop-2-enoylpyrrolidin-3-yl]-5-(1H-pyrrole-2-carbonyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-3-carboxamide;(7R)-1-[(4-fluorophenyl)methyl]-7-methyl-N-[(3S)-1-prop-2-enoylpyrrolidin-3-yl]-5-(1H-pyrrole-2-carbonyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-3-carboxamide
CID 157124556

Frequently Asked Questions

What is the IUPAC name of 2-[3-(aminomethyl)phenyl]-N-[3-(1-cyclopenta-1,4-dien-1-yl-3-cyclopropylpropyl)phenyl]-5-methylpyrazole-3-carboxamide;2-[3-(aminomethyl)phenyl]-N-[5-[(cyclopropylmethylamino)-(3-methylphenyl)methyl]-2-fluorophenyl]-5-methylpyrazole-3-carboxamide;2-[3-(aminomethyl)phenyl]-N-[5-[(cyclopropylmethylamino)-pyridin-2-ylmethyl]-2-fluorophenyl]-5-methylpyrazole-3-carboxamide;2-[3-(aminomethyl)phenyl]-N-[5-[(cyclopropylmethylamino)-(1,3-thiazol-2-yl)methyl]-2-fluorophenyl]-5-methylpyrazole-3-carboxamide?
The IUPAC name of 2-[3-(aminomethyl)phenyl]-N-[3-(1-cyclopenta-1,4-dien-1-yl-3-cyclopropylpropyl)phenyl]-5-methylpyrazole-3-carboxamide;2-[3-(aminomethyl)phenyl]-N-[5-[(cyclopropylmethylamino)-(3-methylphenyl)methyl]-2-fluorophenyl]-5-methylpyrazole-3-carboxamide;2-[3-(aminomethyl)phenyl]-N-[5-[(cyclopropylmethylamino)-pyridin-2-ylmethyl]-2-fluorophenyl]-5-methylpyrazole-3-carboxamide;2-[3-(aminomethyl)phenyl]-N-[5-[(cyclopropylmethylamino)-(1,3-thiazol-2-yl)methyl]-2-fluorophenyl]-5-methylpyrazole-3-carboxamide (CID 157058623) is 2-[3-(aminomethyl)phenyl]-N-[3-(1-cyclopenta-1,4-dien-1-yl-3-cyclopropylpropyl)phenyl]-5-methylpyrazole-3-carboxamide;2-[3-(aminomethyl)phenyl]-N-[5-[(cyclopropylmethylamino)-(3-methylphenyl)methyl]-2-fluorophenyl]-5-methylpyrazole-3-carboxamide;2-[3-(aminomethyl)phenyl]-N-[5-[(cyclopropylmethylamino)-pyridin-2-ylmethyl]-2-fluorophenyl]-5-methylpyrazole-3-carboxamide;2-[3-(aminomethyl)phenyl]-N-[5-[(cyclopropylmethylamino)-(1,3-thiazol-2-yl)methyl]-2-fluorophenyl]-5-methylpyrazole-3-carboxamide.
What is the SMILES notation for 2-[3-(aminomethyl)phenyl]-N-[3-(1-cyclopenta-1,4-dien-1-yl-3-cyclopropylpropyl)phenyl]-5-methylpyrazole-3-carboxamide;2-[3-(aminomethyl)phenyl]-N-[5-[(cyclopropylmethylamino)-(3-methylphenyl)methyl]-2-fluorophenyl]-5-methylpyrazole-3-carboxamide;2-[3-(aminomethyl)phenyl]-N-[5-[(cyclopropylmethylamino)-pyridin-2-ylmethyl]-2-fluorophenyl]-5-methylpyrazole-3-carboxamide;2-[3-(aminomethyl)phenyl]-N-[5-[(cyclopropylmethylamino)-(1,3-thiazol-2-yl)methyl]-2-fluorophenyl]-5-methylpyrazole-3-carboxamide?
The canonical SMILES for 2-[3-(aminomethyl)phenyl]-N-[3-(1-cyclopenta-1,4-dien-1-yl-3-cyclopropylpropyl)phenyl]-5-methylpyrazole-3-carboxamide;2-[3-(aminomethyl)phenyl]-N-[5-[(cyclopropylmethylamino)-(3-methylphenyl)methyl]-2-fluorophenyl]-5-methylpyrazole-3-carboxamide;2-[3-(aminomethyl)phenyl]-N-[5-[(cyclopropylmethylamino)-pyridin-2-ylmethyl]-2-fluorophenyl]-5-methylpyrazole-3-carboxamide;2-[3-(aminomethyl)phenyl]-N-[5-[(cyclopropylmethylamino)-(1,3-thiazol-2-yl)methyl]-2-fluorophenyl]-5-methylpyrazole-3-carboxamide is Cc1cc(C(=O)Nc2cc(C(NCC3CC3)c3ccccn3)ccc2F)n(-c2cccc(CN)c2)n1.Cc1cc(C(=O)Nc2cc(C(NCC3CC3)c3nccs3)ccc2F)n(-c2cccc(CN)c2)n1.Cc1cc(C(=O)Nc2cccc(C(CCC3CC3)C3=CCC=C3)c2)n(-c2cccc(CN)c2)n1.Cc1cccc(C(NCC2CC2)c2ccc(F)c(NC(=O)c3cc(C)nn3-c3cccc(CN)c3)c2)c1.
What is the InChIKey of 2-[3-(aminomethyl)phenyl]-N-[3-(1-cyclopenta-1,4-dien-1-yl-3-cyclopropylpropyl)phenyl]-5-methylpyrazole-3-carboxamide;2-[3-(aminomethyl)phenyl]-N-[5-[(cyclopropylmethylamino)-(3-methylphenyl)methyl]-2-fluorophenyl]-5-methylpyrazole-3-carboxamide;2-[3-(aminomethyl)phenyl]-N-[5-[(cyclopropylmethylamino)-pyridin-2-ylmethyl]-2-fluorophenyl]-5-methylpyrazole-3-carboxamide;2-[3-(aminomethyl)phenyl]-N-[5-[(cyclopropylmethylamino)-(1,3-thiazol-2-yl)methyl]-2-fluorophenyl]-5-methylpyrazole-3-carboxamide?
The InChIKey is ABAZXJMSKIFDHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H32FN5O.C29H32N4O.C28H29FN6O.C26H27FN6OS/c1-19-5-3-7-23(13-19)29(33-18-21-9-10-21)24-11-12-26(31)27(16-24)34-30(37)28-14-20(2)35-36(28)25-8-4-6-22(15-25)17-32;1-20-16-28(33(32-20)26-11-4-6-22(17-26)19-30)29(34)31-25-10-5-9-24(18-25)27(15-14-21-12-13-21)23-7-2-3-8-23;1-18-13-26(35(34-18)22-6-4-5-20(14-22)16-30)28(36)33-25-15-21(10-11-23(25)29)27(32-17-19-8-9-19)24-7-2-3-12-31-24;1-16-11-23(33(32-16)20-4-2-3-18(12-20)14-28)25(34)31-22-13-19(7-8-21(22)27)24(26-29-9-10-35-26)30-15-17-5-6-17/h3-8,11-16,21,29,33H,9-10,17-18,32H2,1-2H3,(H,34,37);2,4-11,16-18,21,27H,3,12-15,19,30H2,1H3,(H,31,34);2-7,10-15,19,27,32H,8-9,16-17,30H2,1H3,(H,33,36);2-4,7-13,17,24,30H,5-6,14-15,28H2,1H3,(H,31,34).
What are the key properties of 2-[3-(aminomethyl)phenyl]-N-[3-(1-cyclopenta-1,4-dien-1-yl-3-cyclopropylpropyl)phenyl]-5-methylpyrazole-3-carboxamide;2-[3-(aminomethyl)phenyl]-N-[5-[(cyclopropylmethylamino)-(3-methylphenyl)methyl]-2-fluorophenyl]-5-methylpyrazole-3-carboxamide;2-[3-(aminomethyl)phenyl]-N-[5-[(cyclopropylmethylamino)-pyridin-2-ylmethyl]-2-fluorophenyl]-5-methylpyrazole-3-carboxamide;2-[3-(aminomethyl)phenyl]-N-[5-[(cyclopropylmethylamino)-(1,3-thiazol-2-yl)methyl]-2-fluorophenyl]-5-methylpyrazole-3-carboxamide?
2-[3-(aminomethyl)phenyl]-N-[3-(1-cyclopenta-1,4-dien-1-yl-3-cyclopropylpropyl)phenyl]-5-methylpyrazole-3-carboxamide;2-[3-(aminomethyl)phenyl]-N-[5-[(cyclopropylmethylamino)-(3-methylphenyl)methyl]-2-fluorophenyl]-5-methylpyrazole-3-carboxamide;2-[3-(aminomethyl)phenyl]-N-[5-[(cyclopropylmethylamino)-pyridin-2-ylmethyl]-2-fluorophenyl]-5-methylpyrazole-3-carboxamide;2-[3-(aminomethyl)phenyl]-N-[5-[(cyclopropylmethylamino)-(1,3-thiazol-2-yl)methyl]-2-fluorophenyl]-5-methylpyrazole-3-carboxamide has a molecular weight of 1925.41 g/mol, XLogP of 20.57, 36 rotatable bonds, 11 hydrogen bond donors, and 22 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(aminomethyl)phenyl]-N-[3-(1-cyclopenta-1,4-dien-1-yl-3-cyclopropylpropyl)phenyl]-5-methylpyrazole-3-carboxamide;2-[3-(aminomethyl)phenyl]-N-[5-[(cyclopropylmethylamino)-(3-methylphenyl)methyl]-2-fluorophenyl]-5-methylpyrazole-3-carboxamide;2-[3-(aminomethyl)phenyl]-N-[5-[(cyclopropylmethylamino)-pyridin-2-ylmethyl]-2-fluorophenyl]-5-methylpyrazole-3-carboxamide;2-[3-(aminomethyl)phenyl]-N-[5-[(cyclopropylmethylamino)-(1,3-thiazol-2-yl)methyl]-2-fluorophenyl]-5-methylpyrazole-3-carboxamide is sourced from PubChem (CID 157058623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).