4-[[(1R,5S)-3-azabicyclo[3.1.0]hexan-6-yl]amino]-1-(1-bicyclo[1.1.1]pentanyl)-N-[(1R)-1-[3-(difluoromethyl)-2-fluorophenyl]ethyl]-6-oxopyridine-3-carboxamide

C25H27F3N4O2 — CID 169126691

IUPAC4-[[(1R,5S)-3-azabicyclo[3.1.0]hexan-6-yl]amino]-1-(1-bicyclo[1.1.1]pentanyl)-N-[(1R)-1-[3-(difluoromethyl)-2-fluorophenyl]ethyl]-6-oxopyridine-3-carboxamide
SMILESC[C@@H](NC(=O)c1cn(C23CC(C2)C3)c(=O)cc1NC1[C@H]2CNC[C@@H]12)c1cccc(C(F)F)c1F
InChIInChI=1S/C25H27F3N4O2/c1-12(14-3-2-4-15(21(14)26)23(27)28)30-24(34)18-11-32(25-6-13(7-25)8-25)20(33)5-19(18)31-22-16-9-29-10-17(16)22/h2-5,11-13,16-17,22-23,29,31H,6-10H2,1H3,(H,30,34)/t12-,13?,16-,17+,22?,25?/m1/s1
InChIKeyPOZGXECZBAYTIO-VGSUQDMISA-N
MW472.51 g/mol
LogP3.55
Rot. Bonds7

About 4-[[(1R,5S)-3-azabicyclo[3.1.0]hexan-6-yl]amino]-1-(1-bicyclo[1.1.1]pentanyl)-N-[(1R)-1-[3-(difluoromethyl)-2-fluorophenyl]ethyl]-6-oxopyridine-3-carboxamide

4-[[(1R,5S)-3-azabicyclo[3.1.0]hexan-6-yl]amino]-1-(1-bicyclo[1.1.1]pentanyl)-N-[(1R)-1-[3-(difluoromethyl)-2-fluorophenyl]ethyl]-6-oxopyridine-3-carboxamide (PubChem CID 169126691) has the molecular formula C25H27F3N4O2 and a molecular weight of 472.51 g/mol. Its IUPAC name is 4-[[(1R,5S)-3-azabicyclo[3.1.0]hexan-6-yl]amino]-1-(1-bicyclo[1.1.1]pentanyl)-N-[(1R)-1-[3-(difluoromethyl)-2-fluorophenyl]ethyl]-6-oxopyridine-3-carboxamide.

Molecular Properties

Compound Name4-[[(1R,5S)-3-azabicyclo[3.1.0]hexan-6-yl]amino]-1-(1-bicyclo[1.1.1]pentanyl)-N-[(1R)-1-[3-(difluoromethyl)-2-fluorophenyl]ethyl]-6-oxopyridine-3-carboxamide
PubChem CID169126691
Molecular FormulaC25H27F3N4O2
Molecular Weight472.51 g/mol
Exact Mass472.21
IUPAC Name4-[[(1R,5S)-3-azabicyclo[3.1.0]hexan-6-yl]amino]-1-(1-bicyclo[1.1.1]pentanyl)-N-[(1R)-1-[3-(difluoromethyl)-2-fluorophenyl]ethyl]-6-oxopyridine-3-carboxamide
SMILESC[C@@H](NC(=O)c1cn(C23CC(C2)C3)c(=O)cc1NC1[C@H]2CNC[C@@H]12)c1cccc(C(F)F)c1F
InChIInChI=1S/C25H27F3N4O2/c1-12(14-3-2-4-15(21(14)26)23(27)28)30-24(34)18-11-32(25-6-13(7-25)8-25)20(33)5-19(18)31-22-16-9-29-10-17(16)22/h2-5,11-13,16-17,22-23,29,31H,6-10H2,1H3,(H,30,34)/t12-,13?,16-,17+,22?,25?/m1/s1
InChIKeyPOZGXECZBAYTIO-VGSUQDMISA-N
XLogP3.55
TPSA75.16 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.51
LogP ≤ 53.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 4-[[(1R,5S)-3-azabicyclo[3.1.0]hexan-6-yl]amino]-1-(1-bicyclo[1.1.1]pentanyl)-N-[(1R)-1-[3-(difluoromethyl)-2-fluorophenyl]ethyl]-6-oxopyridine-3-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 4-[[(1R,5S)-3-azabicyclo[3.1.0]hexan-6-yl]amino]-1-(1-bicyclo[1.1.1]pentanyl)-N-[(1R)-1-[3-(difluoromethyl)-2-fluorophenyl]ethyl]-6-oxopyridine-3-carboxamide?
The IUPAC name of 4-[[(1R,5S)-3-azabicyclo[3.1.0]hexan-6-yl]amino]-1-(1-bicyclo[1.1.1]pentanyl)-N-[(1R)-1-[3-(difluoromethyl)-2-fluorophenyl]ethyl]-6-oxopyridine-3-carboxamide (CID 169126691) is 4-[[(1R,5S)-3-azabicyclo[3.1.0]hexan-6-yl]amino]-1-(1-bicyclo[1.1.1]pentanyl)-N-[(1R)-1-[3-(difluoromethyl)-2-fluorophenyl]ethyl]-6-oxopyridine-3-carboxamide.
What is the SMILES notation for 4-[[(1R,5S)-3-azabicyclo[3.1.0]hexan-6-yl]amino]-1-(1-bicyclo[1.1.1]pentanyl)-N-[(1R)-1-[3-(difluoromethyl)-2-fluorophenyl]ethyl]-6-oxopyridine-3-carboxamide?
The canonical SMILES for 4-[[(1R,5S)-3-azabicyclo[3.1.0]hexan-6-yl]amino]-1-(1-bicyclo[1.1.1]pentanyl)-N-[(1R)-1-[3-(difluoromethyl)-2-fluorophenyl]ethyl]-6-oxopyridine-3-carboxamide is C[C@@H](NC(=O)c1cn(C23CC(C2)C3)c(=O)cc1NC1[C@H]2CNC[C@@H]12)c1cccc(C(F)F)c1F.
What is the InChIKey of 4-[[(1R,5S)-3-azabicyclo[3.1.0]hexan-6-yl]amino]-1-(1-bicyclo[1.1.1]pentanyl)-N-[(1R)-1-[3-(difluoromethyl)-2-fluorophenyl]ethyl]-6-oxopyridine-3-carboxamide?
The InChIKey is POZGXECZBAYTIO-VGSUQDMISA-N. The full InChI is InChI=1S/C25H27F3N4O2/c1-12(14-3-2-4-15(21(14)26)23(27)28)30-24(34)18-11-32(25-6-13(7-25)8-25)20(33)5-19(18)31-22-16-9-29-10-17(16)22/h2-5,11-13,16-17,22-23,29,31H,6-10H2,1H3,(H,30,34)/t12-,13?,16-,17+,22?,25?/m1/s1.
What are the key properties of 4-[[(1R,5S)-3-azabicyclo[3.1.0]hexan-6-yl]amino]-1-(1-bicyclo[1.1.1]pentanyl)-N-[(1R)-1-[3-(difluoromethyl)-2-fluorophenyl]ethyl]-6-oxopyridine-3-carboxamide?
4-[[(1R,5S)-3-azabicyclo[3.1.0]hexan-6-yl]amino]-1-(1-bicyclo[1.1.1]pentanyl)-N-[(1R)-1-[3-(difluoromethyl)-2-fluorophenyl]ethyl]-6-oxopyridine-3-carboxamide has a molecular weight of 472.51 g/mol, XLogP of 3.55, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(1R,5S)-3-azabicyclo[3.1.0]hexan-6-yl]amino]-1-(1-bicyclo[1.1.1]pentanyl)-N-[(1R)-1-[3-(difluoromethyl)-2-fluorophenyl]ethyl]-6-oxopyridine-3-carboxamide is sourced from PubChem (CID 169126691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).