N-[[(1R,5S)-3-(3-hydroxy-2,2-dimethylpropyl)-3-azabicyclo[3.1.0]hexan-6-yl]methyl]-3-propan-2-ylimidazo[1,5-a]pyridine-1-carboxamide

C22H32N4O2 — CID 127042670

IUPACN-[[(1R,5S)-3-(3-hydroxy-2,2-dimethylpropyl)-3-azabicyclo[3.1.0]hexan-6-yl]methyl]-3-propan-2-ylimidazo[1,5-a]pyridine-1-carboxamide
SMILESCC(C)c1nc(C(=O)NCC2[C@H]3CN(CC(C)(C)CO)C[C@@H]23)c2ccccn12
InChIInChI=1S/C22H32N4O2/c1-14(2)20-24-19(18-7-5-6-8-26(18)20)21(28)23-9-15-16-10-25(11-17(15)16)12-22(3,4)13-27/h5-8,14-17,27H,9-13H2,1-4H3,(H,23,28)/t15?,16-,17+
InChIKeyLNKSFAKJANXYSA-ALOPSCKCSA-N
MW384.52 g/mol
LogP2.38
Rot. Bonds7

About N-[[(1R,5S)-3-(3-hydroxy-2,2-dimethylpropyl)-3-azabicyclo[3.1.0]hexan-6-yl]methyl]-3-propan-2-ylimidazo[1,5-a]pyridine-1-carboxamide

N-[[(1R,5S)-3-(3-hydroxy-2,2-dimethylpropyl)-3-azabicyclo[3.1.0]hexan-6-yl]methyl]-3-propan-2-ylimidazo[1,5-a]pyridine-1-carboxamide (PubChem CID 127042670) has the molecular formula C22H32N4O2 and a molecular weight of 384.52 g/mol. Its IUPAC name is N-[[(1R,5S)-3-(3-hydroxy-2,2-dimethylpropyl)-3-azabicyclo[3.1.0]hexan-6-yl]methyl]-3-propan-2-ylimidazo[1,5-a]pyridine-1-carboxamide.

Molecular Properties

Compound NameN-[[(1R,5S)-3-(3-hydroxy-2,2-dimethylpropyl)-3-azabicyclo[3.1.0]hexan-6-yl]methyl]-3-propan-2-ylimidazo[1,5-a]pyridine-1-carboxamide
PubChem CID127042670
Molecular FormulaC22H32N4O2
Molecular Weight384.52 g/mol
Exact Mass384.25
IUPAC NameN-[[(1R,5S)-3-(3-hydroxy-2,2-dimethylpropyl)-3-azabicyclo[3.1.0]hexan-6-yl]methyl]-3-propan-2-ylimidazo[1,5-a]pyridine-1-carboxamide
SMILESCC(C)c1nc(C(=O)NCC2[C@H]3CN(CC(C)(C)CO)C[C@@H]23)c2ccccn12
InChIInChI=1S/C22H32N4O2/c1-14(2)20-24-19(18-7-5-6-8-26(18)20)21(28)23-9-15-16-10-25(11-17(15)16)12-22(3,4)13-27/h5-8,14-17,27H,9-13H2,1-4H3,(H,23,28)/t15?,16-,17+
InChIKeyLNKSFAKJANXYSA-ALOPSCKCSA-N
XLogP2.38
TPSA69.87 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.52
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[[(1R,5S)-3-(3-hydroxy-2,2-dimethylpropyl)-3-azabicyclo[3.1.0]hexan-6-yl]methyl]-3-propan-2-ylimidazo[1,5-a]pyridine-1-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[[(1R,5S)-3-(3-hydroxy-2,2-dimethylpropyl)-3-azabicyclo[3.1.0]hexan-6-yl]methyl]-3-propan-2-ylimidazo[1,5-a]pyridine-1-carboxamide?
The IUPAC name of N-[[(1R,5S)-3-(3-hydroxy-2,2-dimethylpropyl)-3-azabicyclo[3.1.0]hexan-6-yl]methyl]-3-propan-2-ylimidazo[1,5-a]pyridine-1-carboxamide (CID 127042670) is N-[[(1R,5S)-3-(3-hydroxy-2,2-dimethylpropyl)-3-azabicyclo[3.1.0]hexan-6-yl]methyl]-3-propan-2-ylimidazo[1,5-a]pyridine-1-carboxamide.
What is the SMILES notation for N-[[(1R,5S)-3-(3-hydroxy-2,2-dimethylpropyl)-3-azabicyclo[3.1.0]hexan-6-yl]methyl]-3-propan-2-ylimidazo[1,5-a]pyridine-1-carboxamide?
The canonical SMILES for N-[[(1R,5S)-3-(3-hydroxy-2,2-dimethylpropyl)-3-azabicyclo[3.1.0]hexan-6-yl]methyl]-3-propan-2-ylimidazo[1,5-a]pyridine-1-carboxamide is CC(C)c1nc(C(=O)NCC2[C@H]3CN(CC(C)(C)CO)C[C@@H]23)c2ccccn12.
What is the InChIKey of N-[[(1R,5S)-3-(3-hydroxy-2,2-dimethylpropyl)-3-azabicyclo[3.1.0]hexan-6-yl]methyl]-3-propan-2-ylimidazo[1,5-a]pyridine-1-carboxamide?
The InChIKey is LNKSFAKJANXYSA-ALOPSCKCSA-N. The full InChI is InChI=1S/C22H32N4O2/c1-14(2)20-24-19(18-7-5-6-8-26(18)20)21(28)23-9-15-16-10-25(11-17(15)16)12-22(3,4)13-27/h5-8,14-17,27H,9-13H2,1-4H3,(H,23,28)/t15?,16-,17+.
What are the key properties of N-[[(1R,5S)-3-(3-hydroxy-2,2-dimethylpropyl)-3-azabicyclo[3.1.0]hexan-6-yl]methyl]-3-propan-2-ylimidazo[1,5-a]pyridine-1-carboxamide?
N-[[(1R,5S)-3-(3-hydroxy-2,2-dimethylpropyl)-3-azabicyclo[3.1.0]hexan-6-yl]methyl]-3-propan-2-ylimidazo[1,5-a]pyridine-1-carboxamide has a molecular weight of 384.52 g/mol, XLogP of 2.38, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(1R,5S)-3-(3-hydroxy-2,2-dimethylpropyl)-3-azabicyclo[3.1.0]hexan-6-yl]methyl]-3-propan-2-ylimidazo[1,5-a]pyridine-1-carboxamide is sourced from PubChem (CID 127042670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).