N-(1-amino-6,7-dihydro-5H-cyclopenta[c]pyridin-5-yl)-1-[[4-[[(1S,5S)-2-oxo-3-azabicyclo[3.1.0]hexan-3-yl]methyl]-3-(trifluoromethyl)phenyl]methyl]pyrazole-4-carboxamide

C26H25F3N6O2 — CID 166595555

IUPACN-(1-amino-6,7-dihydro-5H-cyclopenta[c]pyridin-5-yl)-1-[[4-[[(1S,5S)-2-oxo-3-azabicyclo[3.1.0]hexan-3-yl]methyl]-3-(trifluoromethyl)phenyl]methyl]pyrazole-4-carboxamide
SMILESNc1nccc2c1CCC2NC(=O)c1cnn(Cc2ccc(CN3C[C@H]4C[C@@H]4C3=O)c(C(F)(F)F)c2)c1
InChIInChI=1S/C26H25F3N6O2/c27-26(28,29)21-7-14(1-2-15(21)11-34-12-16-8-20(16)25(34)37)10-35-13-17(9-32-35)24(36)33-22-4-3-19-18(22)5-6-31-23(19)30/h1-2,5-7,9,13,16,20,22H,3-4,8,10-12H2,(H2,30,31)(H,33,36)/t16-,20+,22?/m1/s1
InChIKeySHUVHRGBXPSCBQ-FLWMDHGKSA-N
MW510.52 g/mol
LogP3.32
Rot. Bonds6

About N-(1-amino-6,7-dihydro-5H-cyclopenta[c]pyridin-5-yl)-1-[[4-[[(1S,5S)-2-oxo-3-azabicyclo[3.1.0]hexan-3-yl]methyl]-3-(trifluoromethyl)phenyl]methyl]pyrazole-4-carboxamide

N-(1-amino-6,7-dihydro-5H-cyclopenta[c]pyridin-5-yl)-1-[[4-[[(1S,5S)-2-oxo-3-azabicyclo[3.1.0]hexan-3-yl]methyl]-3-(trifluoromethyl)phenyl]methyl]pyrazole-4-carboxamide (PubChem CID 166595555) has the molecular formula C26H25F3N6O2 and a molecular weight of 510.52 g/mol. Its IUPAC name is N-(1-amino-6,7-dihydro-5H-cyclopenta[c]pyridin-5-yl)-1-[[4-[[(1S,5S)-2-oxo-3-azabicyclo[3.1.0]hexan-3-yl]methyl]-3-(trifluoromethyl)phenyl]methyl]pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-(1-amino-6,7-dihydro-5H-cyclopenta[c]pyridin-5-yl)-1-[[4-[[(1S,5S)-2-oxo-3-azabicyclo[3.1.0]hexan-3-yl]methyl]-3-(trifluoromethyl)phenyl]methyl]pyrazole-4-carboxamide
PubChem CID166595555
Molecular FormulaC26H25F3N6O2
Molecular Weight510.52 g/mol
Exact Mass510.20
IUPAC NameN-(1-amino-6,7-dihydro-5H-cyclopenta[c]pyridin-5-yl)-1-[[4-[[(1S,5S)-2-oxo-3-azabicyclo[3.1.0]hexan-3-yl]methyl]-3-(trifluoromethyl)phenyl]methyl]pyrazole-4-carboxamide
SMILESNc1nccc2c1CCC2NC(=O)c1cnn(Cc2ccc(CN3C[C@H]4C[C@@H]4C3=O)c(C(F)(F)F)c2)c1
InChIInChI=1S/C26H25F3N6O2/c27-26(28,29)21-7-14(1-2-15(21)11-34-12-16-8-20(16)25(34)37)10-35-13-17(9-32-35)24(36)33-22-4-3-19-18(22)5-6-31-23(19)30/h1-2,5-7,9,13,16,20,22H,3-4,8,10-12H2,(H2,30,31)(H,33,36)/t16-,20+,22?/m1/s1
InChIKeySHUVHRGBXPSCBQ-FLWMDHGKSA-N
XLogP3.32
TPSA106.14 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500510.52
LogP ≤ 53.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-(1-amino-6,7-dihydro-5H-cyclopenta[c]pyridin-5-yl)-1-[[4-[[(1S,5S)-2-oxo-3-azabicyclo[3.1.0]hexan-3-yl]methyl]-3-(trifluoromethyl)phenyl]methyl]pyrazole-4-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-(1-amino-6,7-dihydro-5H-cyclopenta[c]pyridin-5-yl)-1-[[4-[[(1S,5S)-2-oxo-3-azabicyclo[3.1.0]hexan-3-yl]methyl]-3-(trifluoromethyl)phenyl]methyl]pyrazole-4-carboxamide?
The IUPAC name of N-(1-amino-6,7-dihydro-5H-cyclopenta[c]pyridin-5-yl)-1-[[4-[[(1S,5S)-2-oxo-3-azabicyclo[3.1.0]hexan-3-yl]methyl]-3-(trifluoromethyl)phenyl]methyl]pyrazole-4-carboxamide (CID 166595555) is N-(1-amino-6,7-dihydro-5H-cyclopenta[c]pyridin-5-yl)-1-[[4-[[(1S,5S)-2-oxo-3-azabicyclo[3.1.0]hexan-3-yl]methyl]-3-(trifluoromethyl)phenyl]methyl]pyrazole-4-carboxamide.
What is the SMILES notation for N-(1-amino-6,7-dihydro-5H-cyclopenta[c]pyridin-5-yl)-1-[[4-[[(1S,5S)-2-oxo-3-azabicyclo[3.1.0]hexan-3-yl]methyl]-3-(trifluoromethyl)phenyl]methyl]pyrazole-4-carboxamide?
The canonical SMILES for N-(1-amino-6,7-dihydro-5H-cyclopenta[c]pyridin-5-yl)-1-[[4-[[(1S,5S)-2-oxo-3-azabicyclo[3.1.0]hexan-3-yl]methyl]-3-(trifluoromethyl)phenyl]methyl]pyrazole-4-carboxamide is Nc1nccc2c1CCC2NC(=O)c1cnn(Cc2ccc(CN3C[C@H]4C[C@@H]4C3=O)c(C(F)(F)F)c2)c1.
What is the InChIKey of N-(1-amino-6,7-dihydro-5H-cyclopenta[c]pyridin-5-yl)-1-[[4-[[(1S,5S)-2-oxo-3-azabicyclo[3.1.0]hexan-3-yl]methyl]-3-(trifluoromethyl)phenyl]methyl]pyrazole-4-carboxamide?
The InChIKey is SHUVHRGBXPSCBQ-FLWMDHGKSA-N. The full InChI is InChI=1S/C26H25F3N6O2/c27-26(28,29)21-7-14(1-2-15(21)11-34-12-16-8-20(16)25(34)37)10-35-13-17(9-32-35)24(36)33-22-4-3-19-18(22)5-6-31-23(19)30/h1-2,5-7,9,13,16,20,22H,3-4,8,10-12H2,(H2,30,31)(H,33,36)/t16-,20+,22?/m1/s1.
What are the key properties of N-(1-amino-6,7-dihydro-5H-cyclopenta[c]pyridin-5-yl)-1-[[4-[[(1S,5S)-2-oxo-3-azabicyclo[3.1.0]hexan-3-yl]methyl]-3-(trifluoromethyl)phenyl]methyl]pyrazole-4-carboxamide?
N-(1-amino-6,7-dihydro-5H-cyclopenta[c]pyridin-5-yl)-1-[[4-[[(1S,5S)-2-oxo-3-azabicyclo[3.1.0]hexan-3-yl]methyl]-3-(trifluoromethyl)phenyl]methyl]pyrazole-4-carboxamide has a molecular weight of 510.52 g/mol, XLogP of 3.32, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-6,7-dihydro-5H-cyclopenta[c]pyridin-5-yl)-1-[[4-[[(1S,5S)-2-oxo-3-azabicyclo[3.1.0]hexan-3-yl]methyl]-3-(trifluoromethyl)phenyl]methyl]pyrazole-4-carboxamide is sourced from PubChem (CID 166595555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).