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

C26H25F3N6O2 — CID 129098653

IUPACN-[2-amino-4-(trifluoromethyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-5-yl]-1-[[4-[(2-oxo-3-azabicyclo[3.1.0]hexan-3-yl)methyl]phenyl]methyl]pyrazole-4-carboxamide
SMILESNc1cc(C(F)(F)F)c2c(n1)CCC2NC(=O)c1cnn(Cc2ccc(CN3CC4CC4C3=O)cc2)c1
InChIInChI=1S/C26H25F3N6O2/c27-26(28,29)19-8-22(30)32-20-5-6-21(23(19)20)33-24(36)17-9-31-35(13-17)11-15-3-1-14(2-4-15)10-34-12-16-7-18(16)25(34)37/h1-4,8-9,13,16,18,21H,5-7,10-12H2,(H2,30,32)(H,33,36)
InChIKeyLWLSSQADCAKCMR-UHFFFAOYSA-N
MW510.52 g/mol
LogP3.32
Rot. Bonds6

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

N-[2-amino-4-(trifluoromethyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-5-yl]-1-[[4-[(2-oxo-3-azabicyclo[3.1.0]hexan-3-yl)methyl]phenyl]methyl]pyrazole-4-carboxamide (PubChem CID 129098653) has the molecular formula C26H25F3N6O2 and a molecular weight of 510.52 g/mol. Its IUPAC name is N-[2-amino-4-(trifluoromethyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-5-yl]-1-[[4-[(2-oxo-3-azabicyclo[3.1.0]hexan-3-yl)methyl]phenyl]methyl]pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[2-amino-4-(trifluoromethyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-5-yl]-1-[[4-[(2-oxo-3-azabicyclo[3.1.0]hexan-3-yl)methyl]phenyl]methyl]pyrazole-4-carboxamide
PubChem CID129098653
Molecular FormulaC26H25F3N6O2
Molecular Weight510.52 g/mol
Exact Mass510.20
IUPAC NameN-[2-amino-4-(trifluoromethyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-5-yl]-1-[[4-[(2-oxo-3-azabicyclo[3.1.0]hexan-3-yl)methyl]phenyl]methyl]pyrazole-4-carboxamide
SMILESNc1cc(C(F)(F)F)c2c(n1)CCC2NC(=O)c1cnn(Cc2ccc(CN3CC4CC4C3=O)cc2)c1
InChIInChI=1S/C26H25F3N6O2/c27-26(28,29)19-8-22(30)32-20-5-6-21(23(19)20)33-24(36)17-9-31-35(13-17)11-15-3-1-14(2-4-15)10-34-12-16-7-18(16)25(34)37/h1-4,8-9,13,16,18,21H,5-7,10-12H2,(H2,30,32)(H,33,36)
InChIKeyLWLSSQADCAKCMR-UHFFFAOYSA-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-[2-amino-4-(trifluoromethyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-5-yl]-1-[[4-[(2-oxo-3-azabicyclo[3.1.0]hexan-3-yl)methyl]phenyl]methyl]pyrazole-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[2-amino-4-(trifluoromethyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-5-yl]-1-[[4-[(2-oxo-3-azabicyclo[3.1.0]hexan-3-yl)methyl]phenyl]methyl]pyrazole-4-carboxamide?
The IUPAC name of N-[2-amino-4-(trifluoromethyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-5-yl]-1-[[4-[(2-oxo-3-azabicyclo[3.1.0]hexan-3-yl)methyl]phenyl]methyl]pyrazole-4-carboxamide (CID 129098653) is N-[2-amino-4-(trifluoromethyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-5-yl]-1-[[4-[(2-oxo-3-azabicyclo[3.1.0]hexan-3-yl)methyl]phenyl]methyl]pyrazole-4-carboxamide.
What is the SMILES notation for N-[2-amino-4-(trifluoromethyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-5-yl]-1-[[4-[(2-oxo-3-azabicyclo[3.1.0]hexan-3-yl)methyl]phenyl]methyl]pyrazole-4-carboxamide?
The canonical SMILES for N-[2-amino-4-(trifluoromethyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-5-yl]-1-[[4-[(2-oxo-3-azabicyclo[3.1.0]hexan-3-yl)methyl]phenyl]methyl]pyrazole-4-carboxamide is Nc1cc(C(F)(F)F)c2c(n1)CCC2NC(=O)c1cnn(Cc2ccc(CN3CC4CC4C3=O)cc2)c1.
What is the InChIKey of N-[2-amino-4-(trifluoromethyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-5-yl]-1-[[4-[(2-oxo-3-azabicyclo[3.1.0]hexan-3-yl)methyl]phenyl]methyl]pyrazole-4-carboxamide?
The InChIKey is LWLSSQADCAKCMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25F3N6O2/c27-26(28,29)19-8-22(30)32-20-5-6-21(23(19)20)33-24(36)17-9-31-35(13-17)11-15-3-1-14(2-4-15)10-34-12-16-7-18(16)25(34)37/h1-4,8-9,13,16,18,21H,5-7,10-12H2,(H2,30,32)(H,33,36).
What are the key properties of N-[2-amino-4-(trifluoromethyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-5-yl]-1-[[4-[(2-oxo-3-azabicyclo[3.1.0]hexan-3-yl)methyl]phenyl]methyl]pyrazole-4-carboxamide?
N-[2-amino-4-(trifluoromethyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-5-yl]-1-[[4-[(2-oxo-3-azabicyclo[3.1.0]hexan-3-yl)methyl]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-[2-amino-4-(trifluoromethyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-5-yl]-1-[[4-[(2-oxo-3-azabicyclo[3.1.0]hexan-3-yl)methyl]phenyl]methyl]pyrazole-4-carboxamide is sourced from PubChem (CID 129098653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).