1-[3-[2-[(1R,4R,5S)-4-hydroxy-2-methyl-3-methylidene-2-azabicyclo[3.1.0]hexan-4-yl]ethynyl]phenyl]imidazo[1,5-a]pyridine-3-carboxamide

About 1-[3-[2-[(1R,4R,5S)-4-hydroxy-2-methyl-3-methylidene-2-azabicyclo[3.1.0]hexan-4-yl]ethynyl]phenyl]imidazo[1,5-a]pyridine-3-carboxamide

1-[3-[2-[(1R,4R,5S)-4-hydroxy-2-methyl-3-methylidene-2-azabicyclo[3.1.0]hexan-4-yl]ethynyl]phenyl]imidazo[1,5-a]pyridine-3-carboxamide (PubChem CID 157302261) has the molecular formula C23H20N4O2 and a molecular weight of 384.44 g/mol. Its IUPAC name is 1-[3-[2-[(1R,4R,5S)-4-hydroxy-2-methyl-3-methylidene-2-azabicyclo[3.1.0]hexan-4-yl]ethynyl]phenyl]imidazo[1,5-a]pyridine-3-carboxamide.

Molecular Properties

Compound Name	1-[3-[2-[(1R,4R,5S)-4-hydroxy-2-methyl-3-methylidene-2-azabicyclo[3.1.0]hexan-4-yl]ethynyl]phenyl]imidazo[1,5-a]pyridine-3-carboxamide
PubChem CID	157302261
Molecular Formula	C23H20N4O2
Molecular Weight	384.44 g/mol
Exact Mass	384.16
IUPAC Name	1-[3-[2-[(1R,4R,5S)-4-hydroxy-2-methyl-3-methylidene-2-azabicyclo[3.1.0]hexan-4-yl]ethynyl]phenyl]imidazo[1,5-a]pyridine-3-carboxamide
SMILES	C=C1N(C)[C@@H]2C[C@@H]2[C@@]1(O)C#Cc1cccc(-c2nc(C(N)=O)n3ccccc23)c1
InChI	InChI=1S/C23H20N4O2/c1-14-23(29,17-13-19(17)26(14)2)10-9-15-6-5-7-16(12-15)20-18-8-3-4-11-27(18)22(25-20)21(24)28/h3-8,11-12,17,19,29H,1,13H2,2H3,(H2,24,28)/t17-,19+,23+/m0/s1
InChIKey	AOCFSKIEJYXMAS-GEQKSPFYSA-N
XLogP	2.03
TPSA	83.86 Å²
H-Bond Donors	2
H-Bond Acceptors	5
Rotatable Bonds	2
Heavy Atoms	29
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	384.44
LogP ≤ 5	2.03
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

Structural Alerts	{'alert_name': 'triple_bond', 'substructure': 'N/A'}

Related Compounds

Frequently Asked Questions

What is the IUPAC name of 1-[3-[2-[(1R,4R,5S)-4-hydroxy-2-methyl-3-methylidene-2-azabicyclo[3.1.0]hexan-4-yl]ethynyl]phenyl]imidazo[1,5-a]pyridine-3-carboxamide?

The IUPAC name of 1-[3-[2-[(1R,4R,5S)-4-hydroxy-2-methyl-3-methylidene-2-azabicyclo[3.1.0]hexan-4-yl]ethynyl]phenyl]imidazo[1,5-a]pyridine-3-carboxamide (CID 157302261) is 1-[3-[2-[(1R,4R,5S)-4-hydroxy-2-methyl-3-methylidene-2-azabicyclo[3.1.0]hexan-4-yl]ethynyl]phenyl]imidazo[1,5-a]pyridine-3-carboxamide.

What is the SMILES notation for 1-[3-[2-[(1R,4R,5S)-4-hydroxy-2-methyl-3-methylidene-2-azabicyclo[3.1.0]hexan-4-yl]ethynyl]phenyl]imidazo[1,5-a]pyridine-3-carboxamide?

The canonical SMILES for 1-[3-[2-[(1R,4R,5S)-4-hydroxy-2-methyl-3-methylidene-2-azabicyclo[3.1.0]hexan-4-yl]ethynyl]phenyl]imidazo[1,5-a]pyridine-3-carboxamide is C=C1N(C)[C@@H]2C[C@@H]2[C@@]1(O)C#Cc1cccc(-c2nc(C(N)=O)n3ccccc23)c1.

What is the InChIKey of 1-[3-[2-[(1R,4R,5S)-4-hydroxy-2-methyl-3-methylidene-2-azabicyclo[3.1.0]hexan-4-yl]ethynyl]phenyl]imidazo[1,5-a]pyridine-3-carboxamide?

The InChIKey is AOCFSKIEJYXMAS-GEQKSPFYSA-N. The full InChI is InChI=1S/C23H20N4O2/c1-14-23(29,17-13-19(17)26(14)2)10-9-15-6-5-7-16(12-15)20-18-8-3-4-11-27(18)22(25-20)21(24)28/h3-8,11-12,17,19,29H,1,13H2,2H3,(H2,24,28)/t17-,19+,23+/m0/s1.

What are the key properties of 1-[3-[2-[(1R,4R,5S)-4-hydroxy-2-methyl-3-methylidene-2-azabicyclo[3.1.0]hexan-4-yl]ethynyl]phenyl]imidazo[1,5-a]pyridine-3-carboxamide?

1-[3-[2-[(1R,4R,5S)-4-hydroxy-2-methyl-3-methylidene-2-azabicyclo[3.1.0]hexan-4-yl]ethynyl]phenyl]imidazo[1,5-a]pyridine-3-carboxamide has a molecular weight of 384.44 g/mol, XLogP of 2.03, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[3-[2-[(1R,4R,5S)-4-hydroxy-2-methyl-3-methylidene-2-azabicyclo[3.1.0]hexan-4-yl]ethynyl]phenyl]imidazo[1,5-a]pyridine-3-carboxamide is sourced from PubChem (CID 157302261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).