N-[4-[(3R)-3-aminopiperidin-1-yl]-3-(trifluoromethyl)-7H-cyclopenta[b]pyridin-5-yl]-1-benzylpyrazole-4-carboxamide;tert-butyl N-[(3R)-1-[5-amino-3-(trifluoromethyl)-7H-cyclopenta[b]pyridin-4-yl]piperidin-3-yl]carbamate;tert-butyl N-[(3R)-1-[5-[(1-benzylpyrazole-4-carbonyl)amino]-3-(trifluoromethyl)-7H-cyclopenta[b]pyridin-4-yl]piperidin-3-yl]carbamate

C74H83F9N16O6 — CID 158857912

IUPACN-[4-[(3R)-3-aminopiperidin-1-yl]-3-(trifluoromethyl)-7H-cyclopenta[b]pyridin-5-yl]-1-benzylpyrazole-4-carboxamide;tert-butyl N-[(3R)-1-[5-amino-3-(trifluoromethyl)-7H-cyclopenta[b]pyridin-4-yl]piperidin-3-yl]carbamate;tert-butyl N-[(3R)-1-[5-[(1-benzylpyrazole-4-carbonyl)amino]-3-(trifluoromethyl)-7H-cyclopenta[b]pyridin-4-yl]piperidin-3-yl]carbamate
SMILESCC(C)(C)OC(=O)N[C@@H]1CCCN(c2c(C(F)(F)F)cnc3c2C(N)=CC3)C1.CC(C)(C)OC(=O)N[C@@H]1CCCN(c2c(C(F)(F)F)cnc3c2C(NC(=O)c2cnn(Cc4ccccc4)c2)=CC3)C1.N[C@@H]1CCCN(c2c(C(F)(F)F)cnc3c2C(NC(=O)c2cnn(Cc4ccccc4)c2)=CC3)C1
InChIInChI=1S/C30H33F3N6O3.C25H25F3N6O.C19H25F3N4O2/c1-29(2,3)42-28(41)36-21-10-7-13-38(18-21)26-22(30(31,32)33)15-34-23-11-12-24(25(23)26)37-27(40)20-14-35-39(17-20)16-19-8-5-4-6-9-19;26-25(27,28)19-12-30-20-8-9-21(22(20)23(19)33-10-4-7-18(29)15-33)32-24(35)17-11-31-34(14-17)13-16-5-2-1-3-6-16;1-18(2,3)28-17(27)25-11-5-4-8-26(10-11)16-12(19(20,21)22)9-24-14-7-6-13(23)15(14)16/h4-6,8-9,12,14-15,17,21H,7,10-11,13,16,18H2,1-3H3,(H,36,41)(H,37,40);1-3,5-6,9,11-12,14,18H,4,7-8,10,13,15,29H2,(H,32,35);6,9,11H,4-5,7-8,10,23H2,1-3H3,(H,25,27)/t21-;18-;11-/m111/s1
InChIKeyJAHDQQQITQEVOC-NIBKOUJTSA-N
MW1463.57 g/mol
LogP12.22
Rot. Bonds13

About N-[4-[(3R)-3-aminopiperidin-1-yl]-3-(trifluoromethyl)-7H-cyclopenta[b]pyridin-5-yl]-1-benzylpyrazole-4-carboxamide;tert-butyl N-[(3R)-1-[5-amino-3-(trifluoromethyl)-7H-cyclopenta[b]pyridin-4-yl]piperidin-3-yl]carbamate;tert-butyl N-[(3R)-1-[5-[(1-benzylpyrazole-4-carbonyl)amino]-3-(trifluoromethyl)-7H-cyclopenta[b]pyridin-4-yl]piperidin-3-yl]carbamate

N-[4-[(3R)-3-aminopiperidin-1-yl]-3-(trifluoromethyl)-7H-cyclopenta[b]pyridin-5-yl]-1-benzylpyrazole-4-carboxamide;tert-butyl N-[(3R)-1-[5-amino-3-(trifluoromethyl)-7H-cyclopenta[b]pyridin-4-yl]piperidin-3-yl]carbamate;tert-butyl N-[(3R)-1-[5-[(1-benzylpyrazole-4-carbonyl)amino]-3-(trifluoromethyl)-7H-cyclopenta[b]pyridin-4-yl]piperidin-3-yl]carbamate (PubChem CID 158857912) has the molecular formula C74H83F9N16O6 and a molecular weight of 1463.57 g/mol. Its IUPAC name is N-[4-[(3R)-3-aminopiperidin-1-yl]-3-(trifluoromethyl)-7H-cyclopenta[b]pyridin-5-yl]-1-benzylpyrazole-4-carboxamide;tert-butyl N-[(3R)-1-[5-amino-3-(trifluoromethyl)-7H-cyclopenta[b]pyridin-4-yl]piperidin-3-yl]carbamate;tert-butyl N-[(3R)-1-[5-[(1-benzylpyrazole-4-carbonyl)amino]-3-(trifluoromethyl)-7H-cyclopenta[b]pyridin-4-yl]piperidin-3-yl]carbamate.

Molecular Properties

Compound NameN-[4-[(3R)-3-aminopiperidin-1-yl]-3-(trifluoromethyl)-7H-cyclopenta[b]pyridin-5-yl]-1-benzylpyrazole-4-carboxamide;tert-butyl N-[(3R)-1-[5-amino-3-(trifluoromethyl)-7H-cyclopenta[b]pyridin-4-yl]piperidin-3-yl]carbamate;tert-butyl N-[(3R)-1-[5-[(1-benzylpyrazole-4-carbonyl)amino]-3-(trifluoromethyl)-7H-cyclopenta[b]pyridin-4-yl]piperidin-3-yl]carbamate
PubChem CID158857912
Molecular FormulaC74H83F9N16O6
Molecular Weight1463.57 g/mol
Exact Mass1462.65
IUPAC NameN-[4-[(3R)-3-aminopiperidin-1-yl]-3-(trifluoromethyl)-7H-cyclopenta[b]pyridin-5-yl]-1-benzylpyrazole-4-carboxamide;tert-butyl N-[(3R)-1-[5-amino-3-(trifluoromethyl)-7H-cyclopenta[b]pyridin-4-yl]piperidin-3-yl]carbamate;tert-butyl N-[(3R)-1-[5-[(1-benzylpyrazole-4-carbonyl)amino]-3-(trifluoromethyl)-7H-cyclopenta[b]pyridin-4-yl]piperidin-3-yl]carbamate
SMILESCC(C)(C)OC(=O)N[C@@H]1CCCN(c2c(C(F)(F)F)cnc3c2C(N)=CC3)C1.CC(C)(C)OC(=O)N[C@@H]1CCCN(c2c(C(F)(F)F)cnc3c2C(NC(=O)c2cnn(Cc4ccccc4)c2)=CC3)C1.N[C@@H]1CCCN(c2c(C(F)(F)F)cnc3c2C(NC(=O)c2cnn(Cc4ccccc4)c2)=CC3)C1
InChIInChI=1S/C30H33F3N6O3.C25H25F3N6O.C19H25F3N4O2/c1-29(2,3)42-28(41)36-21-10-7-13-38(18-21)26-22(30(31,32)33)15-34-23-11-12-24(25(23)26)37-27(40)20-14-35-39(17-20)16-19-8-5-4-6-9-19;26-25(27,28)19-12-30-20-8-9-21(22(20)23(19)33-10-4-7-18(29)15-33)32-24(35)17-11-31-34(14-17)13-16-5-2-1-3-6-16;1-18(2,3)28-17(27)25-11-5-4-8-26(10-11)16-12(19(20,21)22)9-24-14-7-6-13(23)15(14)16/h4-6,8-9,12,14-15,17,21H,7,10-11,13,16,18H2,1-3H3,(H,36,41)(H,37,40);1-3,5-6,9,11-12,14,18H,4,7-8,10,13,15,29H2,(H,32,35);6,9,11H,4-5,7-8,10,23H2,1-3H3,(H,25,27)/t21-;18-;11-/m111/s1
InChIKeyJAHDQQQITQEVOC-NIBKOUJTSA-N
XLogP12.22
TPSA270.93 Ų
H-Bond Donors6
H-Bond Acceptors18
Rotatable Bonds13
Heavy Atoms105
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001463.57
LogP ≤ 512.22
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1018

Analyze N-[4-[(3R)-3-aminopiperidin-1-yl]-3-(trifluoromethyl)-7H-cyclopenta[b]pyridin-5-yl]-1-benzylpyrazole-4-carboxamide;tert-butyl N-[(3R)-1-[5-amino-3-(trifluoromethyl)-7H-cyclopenta[b]pyridin-4-yl]piperidin-3-yl]carbamate;tert-butyl N-[(3R)-1-[5-[(1-benzylpyrazole-4-carbonyl)amino]-3-(trifluoromethyl)-7H-cyclopenta[b]pyridin-4-yl]piperidin-3-yl]carbamate with MolForge

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Related Compounds

2,6-difluoro-4-isocyanatopyridine;2,6-difluoropyridin-4-amine;bis((6S)-N-(2,6-difluoro-4-pyridinyl)-6-methyl-3-[(3S)-4,4,4-trifluoro-3-methylbutanoyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide);2,2,2-trifluoroacetic acid;(3S)-4,4,4-trifluoro-3-methyl-1-[(6S)-6-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-3-yl]butan-1-one
CID 157253905
tert-butyl 3-[1-[[1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carbonyl]amino]propyl]piperidine-1-carboxylate;dichloromethane;1-(4-fluorophenyl)-N-(1-piperidin-3-ylpropyl)pyrazolo[5,4-c]pyridine-4-carboxamide;methane;2,2,2-trifluoroacetic acid
CID 157629085
Tert-butyl 4-[6-[4-(1-ethylpyrrolidin-3-yl)phenyl]pyrrolo[1,2-b]pyridazin-4-yl]piperazine-1-carboxylate;6-[4-(1-ethylpyrrolidin-3-yl)phenyl]-4-piperazin-1-ylpyrrolo[1,2-b]pyridazine;2,2,2-trifluoroacetic acid
CID 157871860
Ethane;1,1,1,3,3,3-hexafluoropropan-2-yl 4-[(2,5-dimethylpyrazol-3-yl)methyl]piperazine-1-carboxylate;1,1,1-trifluoropropan-2-yl 4-benzylpiperazine-1-carboxylate;1,1,1-trifluoropropan-2-yl 4-[(1,3-dimethylpyrazol-4-yl)methyl]piperazine-1-carboxylate;1,1,1-trifluoropropan-2-yl 4-(pyridin-3-ylmethyl)piperazine-1-carboxylate
CID 158353787
tert-butyl 3-[[[(7S)-7-propan-2-yl-6-[[4-(trifluoromethyl)phenyl]methyl]-5,7-dihydropyrrolo[3,4-b]pyridine-3-carbonyl]amino]methyl]pyrrolidine-1-carboxylate;(7S)-N-[(1-methylpyrazol-4-yl)methyl]-7-propan-2-yl-6-[[4-(trifluoromethyl)phenyl]methyl]-5,7-dihydropyrrolo[3,4-b]pyridine-3-carboxamide;(7S)-N-[(1-methylpyrrol-2-yl)methyl]-7-propan-2-yl-6-[[4-(trifluoromethyl)phenyl]methyl]-5,7-dihydropyrrolo[3,4-b]pyridine-3-carboxamide;(7S)-N-(2-piperidin-1-ylethyl)-7-propan-2-yl-6-[[4-(trifluoromethyl)phenyl]methyl]-5,7-dihydropyrrolo[3,4-b]pyridine-3-carboxamide;(7S)-N-[(4-propanoylcyclohexyl)methyl]-7-propan-2-yl-6-[[4-(trifluoromethyl)phenyl]methyl]-5,7-dihydropyrrolo[3,4-b]pyridine-3-carboxamide;(7S)-7-propan-2-yl-N-(pyridin-2-ylmethyl)-6-[[4-(trifluoromethyl)phenyl]methyl]-5,7-dihydropyrrolo[3,4-b]pyridine-3-carboxamide
CID 158680472
N-(3-acetamido-2,2-difluoropropyl)-6-(3-cyanopyrrolo[1,2-b]pyridazin-7-yl)-4-(propan-2-ylamino)pyridine-3-carboxamide;N-[3-(aminomethylamino)-2,2-difluoropropyl]-6-(3-cyanopyrrolo[1,2-b]pyridazin-7-yl)-4-(propan-2-ylamino)pyridine-3-carboxamide;tert-butyl N-[3-[[6-(3-cyanopyrrolo[1,2-b]pyridazin-7-yl)-4-(propan-2-ylamino)pyridine-3-carbonyl]amino]-2,2-difluoropropyl]carbamate
CID 159585794
tert-butyl 3-[1-[[1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carbonyl]amino]propyl]piperidine-1-carboxylate;dichloromethane;1-(4-fluorophenyl)-N-(1-piperidin-3-ylpropyl)pyrazolo[5,4-c]pyridine-4-carboxamide;2,2,2-trifluoroacetic acid
CID 159880247
N-(3-acetamido-2,2-difluoropropyl)-6-(3-cyanopyrrolo[1,2-b]pyridazin-7-yl)-4-(propan-2-ylamino)pyridine-3-carboxamide;tert-butyl N-[3-[[6-(3-cyanopyrrolo[1,2-b]pyridazin-7-yl)-4-(propan-2-ylamino)pyridine-3-carbonyl]amino]-2,2-difluoropropyl]carbamate;N-[3-(carbamoylamino)-2,2-difluoropropyl]-6-(3-cyanopyrrolo[1,2-b]pyridazin-7-yl)-4-(propan-2-ylamino)pyridine-3-carboxamide
CID 161368692
tert-butyl N-[[2-[4-[(1R)-1-[[5-[1-(1-acetylpiperidin-4-yl)pyrazol-4-yl]pyridine-3-carbonyl]amino]ethyl]phenyl]-4-(trifluoromethyl)phenyl]methyl]carbamate
CID 177760988
tert-butyl N-[(3R)-1-[5-[(1-benzylpyrazole-4-carbonyl)amino]-3-(trifluoromethyl)-7H-cyclopenta[b]pyridin-4-yl]piperidin-3-yl]carbamate
CID 158857915
tert-butyl N-[(2R)-3-[[(2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-oxo-3-[4-(2-phenylethyl)-2-pyridin-4-yl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]propyl]disulfanyl]-1-oxo-1-[4-(2-phenylethyl)-2-pyridin-4-yl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]propan-2-yl]carbamate
CID 25253742
tert-butyl N-[(2R)-3-[[(2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-oxo-3-[4-(2-phenylethyl)-2-pyridin-3-yl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]propyl]disulfanyl]-1-oxo-1-[4-(2-phenylethyl)-2-pyridin-3-yl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]propan-2-yl]carbamate
CID 25253743

Frequently Asked Questions

What is the IUPAC name of N-[4-[(3R)-3-aminopiperidin-1-yl]-3-(trifluoromethyl)-7H-cyclopenta[b]pyridin-5-yl]-1-benzylpyrazole-4-carboxamide;tert-butyl N-[(3R)-1-[5-amino-3-(trifluoromethyl)-7H-cyclopenta[b]pyridin-4-yl]piperidin-3-yl]carbamate;tert-butyl N-[(3R)-1-[5-[(1-benzylpyrazole-4-carbonyl)amino]-3-(trifluoromethyl)-7H-cyclopenta[b]pyridin-4-yl]piperidin-3-yl]carbamate?
The IUPAC name of N-[4-[(3R)-3-aminopiperidin-1-yl]-3-(trifluoromethyl)-7H-cyclopenta[b]pyridin-5-yl]-1-benzylpyrazole-4-carboxamide;tert-butyl N-[(3R)-1-[5-amino-3-(trifluoromethyl)-7H-cyclopenta[b]pyridin-4-yl]piperidin-3-yl]carbamate;tert-butyl N-[(3R)-1-[5-[(1-benzylpyrazole-4-carbonyl)amino]-3-(trifluoromethyl)-7H-cyclopenta[b]pyridin-4-yl]piperidin-3-yl]carbamate (CID 158857912) is N-[4-[(3R)-3-aminopiperidin-1-yl]-3-(trifluoromethyl)-7H-cyclopenta[b]pyridin-5-yl]-1-benzylpyrazole-4-carboxamide;tert-butyl N-[(3R)-1-[5-amino-3-(trifluoromethyl)-7H-cyclopenta[b]pyridin-4-yl]piperidin-3-yl]carbamate;tert-butyl N-[(3R)-1-[5-[(1-benzylpyrazole-4-carbonyl)amino]-3-(trifluoromethyl)-7H-cyclopenta[b]pyridin-4-yl]piperidin-3-yl]carbamate.
What is the SMILES notation for N-[4-[(3R)-3-aminopiperidin-1-yl]-3-(trifluoromethyl)-7H-cyclopenta[b]pyridin-5-yl]-1-benzylpyrazole-4-carboxamide;tert-butyl N-[(3R)-1-[5-amino-3-(trifluoromethyl)-7H-cyclopenta[b]pyridin-4-yl]piperidin-3-yl]carbamate;tert-butyl N-[(3R)-1-[5-[(1-benzylpyrazole-4-carbonyl)amino]-3-(trifluoromethyl)-7H-cyclopenta[b]pyridin-4-yl]piperidin-3-yl]carbamate?
The canonical SMILES for N-[4-[(3R)-3-aminopiperidin-1-yl]-3-(trifluoromethyl)-7H-cyclopenta[b]pyridin-5-yl]-1-benzylpyrazole-4-carboxamide;tert-butyl N-[(3R)-1-[5-amino-3-(trifluoromethyl)-7H-cyclopenta[b]pyridin-4-yl]piperidin-3-yl]carbamate;tert-butyl N-[(3R)-1-[5-[(1-benzylpyrazole-4-carbonyl)amino]-3-(trifluoromethyl)-7H-cyclopenta[b]pyridin-4-yl]piperidin-3-yl]carbamate is CC(C)(C)OC(=O)N[C@@H]1CCCN(c2c(C(F)(F)F)cnc3c2C(N)=CC3)C1.CC(C)(C)OC(=O)N[C@@H]1CCCN(c2c(C(F)(F)F)cnc3c2C(NC(=O)c2cnn(Cc4ccccc4)c2)=CC3)C1.N[C@@H]1CCCN(c2c(C(F)(F)F)cnc3c2C(NC(=O)c2cnn(Cc4ccccc4)c2)=CC3)C1.
What is the InChIKey of N-[4-[(3R)-3-aminopiperidin-1-yl]-3-(trifluoromethyl)-7H-cyclopenta[b]pyridin-5-yl]-1-benzylpyrazole-4-carboxamide;tert-butyl N-[(3R)-1-[5-amino-3-(trifluoromethyl)-7H-cyclopenta[b]pyridin-4-yl]piperidin-3-yl]carbamate;tert-butyl N-[(3R)-1-[5-[(1-benzylpyrazole-4-carbonyl)amino]-3-(trifluoromethyl)-7H-cyclopenta[b]pyridin-4-yl]piperidin-3-yl]carbamate?
The InChIKey is JAHDQQQITQEVOC-NIBKOUJTSA-N. The full InChI is InChI=1S/C30H33F3N6O3.C25H25F3N6O.C19H25F3N4O2/c1-29(2,3)42-28(41)36-21-10-7-13-38(18-21)26-22(30(31,32)33)15-34-23-11-12-24(25(23)26)37-27(40)20-14-35-39(17-20)16-19-8-5-4-6-9-19;26-25(27,28)19-12-30-20-8-9-21(22(20)23(19)33-10-4-7-18(29)15-33)32-24(35)17-11-31-34(14-17)13-16-5-2-1-3-6-16;1-18(2,3)28-17(27)25-11-5-4-8-26(10-11)16-12(19(20,21)22)9-24-14-7-6-13(23)15(14)16/h4-6,8-9,12,14-15,17,21H,7,10-11,13,16,18H2,1-3H3,(H,36,41)(H,37,40);1-3,5-6,9,11-12,14,18H,4,7-8,10,13,15,29H2,(H,32,35);6,9,11H,4-5,7-8,10,23H2,1-3H3,(H,25,27)/t21-;18-;11-/m111/s1.
What are the key properties of N-[4-[(3R)-3-aminopiperidin-1-yl]-3-(trifluoromethyl)-7H-cyclopenta[b]pyridin-5-yl]-1-benzylpyrazole-4-carboxamide;tert-butyl N-[(3R)-1-[5-amino-3-(trifluoromethyl)-7H-cyclopenta[b]pyridin-4-yl]piperidin-3-yl]carbamate;tert-butyl N-[(3R)-1-[5-[(1-benzylpyrazole-4-carbonyl)amino]-3-(trifluoromethyl)-7H-cyclopenta[b]pyridin-4-yl]piperidin-3-yl]carbamate?
N-[4-[(3R)-3-aminopiperidin-1-yl]-3-(trifluoromethyl)-7H-cyclopenta[b]pyridin-5-yl]-1-benzylpyrazole-4-carboxamide;tert-butyl N-[(3R)-1-[5-amino-3-(trifluoromethyl)-7H-cyclopenta[b]pyridin-4-yl]piperidin-3-yl]carbamate;tert-butyl N-[(3R)-1-[5-[(1-benzylpyrazole-4-carbonyl)amino]-3-(trifluoromethyl)-7H-cyclopenta[b]pyridin-4-yl]piperidin-3-yl]carbamate has a molecular weight of 1463.57 g/mol, XLogP of 12.22, 13 rotatable bonds, 6 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(3R)-3-aminopiperidin-1-yl]-3-(trifluoromethyl)-7H-cyclopenta[b]pyridin-5-yl]-1-benzylpyrazole-4-carboxamide;tert-butyl N-[(3R)-1-[5-amino-3-(trifluoromethyl)-7H-cyclopenta[b]pyridin-4-yl]piperidin-3-yl]carbamate;tert-butyl N-[(3R)-1-[5-[(1-benzylpyrazole-4-carbonyl)amino]-3-(trifluoromethyl)-7H-cyclopenta[b]pyridin-4-yl]piperidin-3-yl]carbamate is sourced from PubChem (CID 158857912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).