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

C20H28N4O — CID 127039822

IUPAC3-propan-2-yl-N-[[(1S,5R)-3-propan-2-yl-3-azabicyclo[3.1.0]hexan-6-yl]methyl]imidazo[1,5-a]pyridine-1-carboxamide
SMILESCC(C)c1nc(C(=O)NCC2[C@H]3CN(C(C)C)C[C@@H]23)c2ccccn12
InChIInChI=1S/C20H28N4O/c1-12(2)19-22-18(17-7-5-6-8-24(17)19)20(25)21-9-14-15-10-23(13(3)4)11-16(14)15/h5-8,12-16H,9-11H2,1-4H3,(H,21,25)/t14?,15-,16+
InChIKeySZYHHXMEWRCMLP-MQVJKMGUSA-N
MW340.47 g/mol
LogP2.77
Rot. Bonds5

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

3-propan-2-yl-N-[[(1S,5R)-3-propan-2-yl-3-azabicyclo[3.1.0]hexan-6-yl]methyl]imidazo[1,5-a]pyridine-1-carboxamide (PubChem CID 127039822) has the molecular formula C20H28N4O and a molecular weight of 340.47 g/mol. Its IUPAC name is 3-propan-2-yl-N-[[(1S,5R)-3-propan-2-yl-3-azabicyclo[3.1.0]hexan-6-yl]methyl]imidazo[1,5-a]pyridine-1-carboxamide.

Molecular Properties

Compound Name3-propan-2-yl-N-[[(1S,5R)-3-propan-2-yl-3-azabicyclo[3.1.0]hexan-6-yl]methyl]imidazo[1,5-a]pyridine-1-carboxamide
PubChem CID127039822
Molecular FormulaC20H28N4O
Molecular Weight340.47 g/mol
Exact Mass340.23
IUPAC Name3-propan-2-yl-N-[[(1S,5R)-3-propan-2-yl-3-azabicyclo[3.1.0]hexan-6-yl]methyl]imidazo[1,5-a]pyridine-1-carboxamide
SMILESCC(C)c1nc(C(=O)NCC2[C@H]3CN(C(C)C)C[C@@H]23)c2ccccn12
InChIInChI=1S/C20H28N4O/c1-12(2)19-22-18(17-7-5-6-8-24(17)19)20(25)21-9-14-15-10-23(13(3)4)11-16(14)15/h5-8,12-16H,9-11H2,1-4H3,(H,21,25)/t14?,15-,16+
InChIKeySZYHHXMEWRCMLP-MQVJKMGUSA-N
XLogP2.77
TPSA49.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.47
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-propan-2-yl-N-[[(1S,5R)-3-propan-2-yl-3-azabicyclo[3.1.0]hexan-6-yl]methyl]imidazo[1,5-a]pyridine-1-carboxamide?
The IUPAC name of 3-propan-2-yl-N-[[(1S,5R)-3-propan-2-yl-3-azabicyclo[3.1.0]hexan-6-yl]methyl]imidazo[1,5-a]pyridine-1-carboxamide (CID 127039822) is 3-propan-2-yl-N-[[(1S,5R)-3-propan-2-yl-3-azabicyclo[3.1.0]hexan-6-yl]methyl]imidazo[1,5-a]pyridine-1-carboxamide.
What is the SMILES notation for 3-propan-2-yl-N-[[(1S,5R)-3-propan-2-yl-3-azabicyclo[3.1.0]hexan-6-yl]methyl]imidazo[1,5-a]pyridine-1-carboxamide?
The canonical SMILES for 3-propan-2-yl-N-[[(1S,5R)-3-propan-2-yl-3-azabicyclo[3.1.0]hexan-6-yl]methyl]imidazo[1,5-a]pyridine-1-carboxamide is CC(C)c1nc(C(=O)NCC2[C@H]3CN(C(C)C)C[C@@H]23)c2ccccn12.
What is the InChIKey of 3-propan-2-yl-N-[[(1S,5R)-3-propan-2-yl-3-azabicyclo[3.1.0]hexan-6-yl]methyl]imidazo[1,5-a]pyridine-1-carboxamide?
The InChIKey is SZYHHXMEWRCMLP-MQVJKMGUSA-N. The full InChI is InChI=1S/C20H28N4O/c1-12(2)19-22-18(17-7-5-6-8-24(17)19)20(25)21-9-14-15-10-23(13(3)4)11-16(14)15/h5-8,12-16H,9-11H2,1-4H3,(H,21,25)/t14?,15-,16+.
What are the key properties of 3-propan-2-yl-N-[[(1S,5R)-3-propan-2-yl-3-azabicyclo[3.1.0]hexan-6-yl]methyl]imidazo[1,5-a]pyridine-1-carboxamide?
3-propan-2-yl-N-[[(1S,5R)-3-propan-2-yl-3-azabicyclo[3.1.0]hexan-6-yl]methyl]imidazo[1,5-a]pyridine-1-carboxamide has a molecular weight of 340.47 g/mol, XLogP of 2.77, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-propan-2-yl-N-[[(1S,5R)-3-propan-2-yl-3-azabicyclo[3.1.0]hexan-6-yl]methyl]imidazo[1,5-a]pyridine-1-carboxamide is sourced from PubChem (CID 127039822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).