2-amino-5-[4-[3-(2,2-difluoropropyl)-3-azabicyclo[3.1.0]hexan-1-yl]phenyl]-N-(4-hydroxycyclohexyl)pyridine-3-carboxamide

C26H32F2N4O2 — CID 138628942

IUPAC2-amino-5-[4-[3-(2,2-difluoropropyl)-3-azabicyclo[3.1.0]hexan-1-yl]phenyl]-N-(4-hydroxycyclohexyl)pyridine-3-carboxamide
SMILESCC(F)(F)CN1CC2CC2(c2ccc(-c3cnc(N)c(C(=O)NC4CCC(O)CC4)c3)cc2)C1
InChIInChI=1S/C26H32F2N4O2/c1-25(27,28)14-32-13-19-11-26(19,15-32)18-4-2-16(3-5-18)17-10-22(23(29)30-12-17)24(34)31-20-6-8-21(33)9-7-20/h2-5,10,12,19-21,33H,6-9,11,13-15H2,1H3,(H2,29,30)(H,31,34)
InChIKeyPBPRYPLWJIJEMD-UHFFFAOYSA-N
MW470.56 g/mol
LogP3.59
Rot. Bonds6

About 2-amino-5-[4-[3-(2,2-difluoropropyl)-3-azabicyclo[3.1.0]hexan-1-yl]phenyl]-N-(4-hydroxycyclohexyl)pyridine-3-carboxamide

2-amino-5-[4-[3-(2,2-difluoropropyl)-3-azabicyclo[3.1.0]hexan-1-yl]phenyl]-N-(4-hydroxycyclohexyl)pyridine-3-carboxamide (PubChem CID 138628942) has the molecular formula C26H32F2N4O2 and a molecular weight of 470.56 g/mol. Its IUPAC name is 2-amino-5-[4-[3-(2,2-difluoropropyl)-3-azabicyclo[3.1.0]hexan-1-yl]phenyl]-N-(4-hydroxycyclohexyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name2-amino-5-[4-[3-(2,2-difluoropropyl)-3-azabicyclo[3.1.0]hexan-1-yl]phenyl]-N-(4-hydroxycyclohexyl)pyridine-3-carboxamide
PubChem CID138628942
Molecular FormulaC26H32F2N4O2
Molecular Weight470.56 g/mol
Exact Mass470.25
IUPAC Name2-amino-5-[4-[3-(2,2-difluoropropyl)-3-azabicyclo[3.1.0]hexan-1-yl]phenyl]-N-(4-hydroxycyclohexyl)pyridine-3-carboxamide
SMILESCC(F)(F)CN1CC2CC2(c2ccc(-c3cnc(N)c(C(=O)NC4CCC(O)CC4)c3)cc2)C1
InChIInChI=1S/C26H32F2N4O2/c1-25(27,28)14-32-13-19-11-26(19,15-32)18-4-2-16(3-5-18)17-10-22(23(29)30-12-17)24(34)31-20-6-8-21(33)9-7-20/h2-5,10,12,19-21,33H,6-9,11,13-15H2,1H3,(H2,29,30)(H,31,34)
InChIKeyPBPRYPLWJIJEMD-UHFFFAOYSA-N
XLogP3.59
TPSA91.48 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.56
LogP ≤ 53.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 2-amino-5-[4-[3-(2,2-difluoropropyl)-3-azabicyclo[3.1.0]hexan-1-yl]phenyl]-N-(4-hydroxycyclohexyl)pyridine-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

Related Compounds

2-amino-N-(4-hydroxycyclohexyl)-5-[4-[3-(3,3,3-trifluoropropyl)-3-azabicyclo[3.1.0]hexan-1-yl]phenyl]pyridine-3-carboxamide
CID 138628971
2-amino-N-(4-hydroxycyclohexyl)-5-[4-[(1S,5R)-3-(2-morpholin-4-ylethyl)-3-azabicyclo[3.1.0]hexan-1-yl]phenyl]pyridine-3-carboxamide
CID 134203046
2-amino-N-(4-hydroxycyclohexyl)-5-[4-[(1R,5S)-3-(2-morpholin-4-ylethyl)-3-azabicyclo[3.1.0]hexan-1-yl]phenyl]pyridine-3-carboxamide
CID 138628954
2-amino-N-(4-hydroxycyclohexyl)-5-[4-[3-(3-methyloxiran-2-yl)-3-azabicyclo[3.1.0]hexan-1-yl]phenyl]pyridine-3-carboxamide
CID 172689518
2-amino-N-(4-hydroxycyclohexyl)-5-[4-[(1R,5S)-3-(1-methylsulfonylpiperidin-4-yl)-3-azabicyclo[3.1.0]hexan-1-yl]phenyl]pyridine-3-carboxamide
CID 134202950
2-amino-5-[4-[(1R,5S)-3-(2,2-difluoropropyl)-3-azabicyclo[3.2.0]heptan-1-yl]phenyl]-N-(4-hydroxycyclohexylidene)pyridine-3-carboxamide
CID 145445448
2-amino-N-(4-hydroxy-4-methylcyclohexyl)-5-[4-[(1R,5S)-3-(oxan-4-yl)-3-azabicyclo[3.1.0]hexan-1-yl]phenyl]pyridine-3-carboxamide
CID 138628902
2-amino-5-[4-[(1R)-3-(1,3-difluoropropan-2-yl)-3-azabicyclo[3.1.0]hex-5-en-1-yl]phenyl]-N-(4-hydroxycyclohexyl)pyridine-3-carboxamide
CID 174338363
2-amino-5-(4-carbamoylphenyl)-N-(4-hydroxycyclohexyl)pyridine-3-carboxamide;ethane;methanamine
CID 160968052
2-amino-N-(4-hydroxycyclohexyl)-5-[4-[(3R,4S)-1-(2-methoxyethyl)-4-methylpyrrolidin-3-yl]phenyl]pyridine-3-carboxamide
CID 155136660
2-(4-hydroxycyclohexyl)-5-[4-[3-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]-3-azabicyclo[3.1.0]hexan-1-yl]phenyl]pyridine-3-carboxamide
CID 156688384
5-[4-[(1R,5S)-3-(2,2,2-trifluoroethyl)-3-azabicyclo[3.1.0]hexan-1-yl]phenyl]pyridine-3-carboxamide
CID 142751138

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-[4-[3-(2,2-difluoropropyl)-3-azabicyclo[3.1.0]hexan-1-yl]phenyl]-N-(4-hydroxycyclohexyl)pyridine-3-carboxamide?
The IUPAC name of 2-amino-5-[4-[3-(2,2-difluoropropyl)-3-azabicyclo[3.1.0]hexan-1-yl]phenyl]-N-(4-hydroxycyclohexyl)pyridine-3-carboxamide (CID 138628942) is 2-amino-5-[4-[3-(2,2-difluoropropyl)-3-azabicyclo[3.1.0]hexan-1-yl]phenyl]-N-(4-hydroxycyclohexyl)pyridine-3-carboxamide.
What is the SMILES notation for 2-amino-5-[4-[3-(2,2-difluoropropyl)-3-azabicyclo[3.1.0]hexan-1-yl]phenyl]-N-(4-hydroxycyclohexyl)pyridine-3-carboxamide?
The canonical SMILES for 2-amino-5-[4-[3-(2,2-difluoropropyl)-3-azabicyclo[3.1.0]hexan-1-yl]phenyl]-N-(4-hydroxycyclohexyl)pyridine-3-carboxamide is CC(F)(F)CN1CC2CC2(c2ccc(-c3cnc(N)c(C(=O)NC4CCC(O)CC4)c3)cc2)C1.
What is the InChIKey of 2-amino-5-[4-[3-(2,2-difluoropropyl)-3-azabicyclo[3.1.0]hexan-1-yl]phenyl]-N-(4-hydroxycyclohexyl)pyridine-3-carboxamide?
The InChIKey is PBPRYPLWJIJEMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32F2N4O2/c1-25(27,28)14-32-13-19-11-26(19,15-32)18-4-2-16(3-5-18)17-10-22(23(29)30-12-17)24(34)31-20-6-8-21(33)9-7-20/h2-5,10,12,19-21,33H,6-9,11,13-15H2,1H3,(H2,29,30)(H,31,34).
What are the key properties of 2-amino-5-[4-[3-(2,2-difluoropropyl)-3-azabicyclo[3.1.0]hexan-1-yl]phenyl]-N-(4-hydroxycyclohexyl)pyridine-3-carboxamide?
2-amino-5-[4-[3-(2,2-difluoropropyl)-3-azabicyclo[3.1.0]hexan-1-yl]phenyl]-N-(4-hydroxycyclohexyl)pyridine-3-carboxamide has a molecular weight of 470.56 g/mol, XLogP of 3.59, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-[4-[3-(2,2-difluoropropyl)-3-azabicyclo[3.1.0]hexan-1-yl]phenyl]-N-(4-hydroxycyclohexyl)pyridine-3-carboxamide is sourced from PubChem (CID 138628942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).