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

C21H29FN4O — CID 127039374

IUPACN-[[(1S,5R)-3-(2-fluoro-2-methylpropyl)-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)F)C[C@@H]23)c2ccccn12
InChIInChI=1S/C21H29FN4O/c1-13(2)19-24-18(17-7-5-6-8-26(17)19)20(27)23-9-14-15-10-25(11-16(14)15)12-21(3,4)22/h5-8,13-16H,9-12H2,1-4H3,(H,23,27)/t14?,15-,16+
InChIKeySYFAKTJKSMZVGT-MQVJKMGUSA-N
MW372.49 g/mol
LogP3.11
Rot. Bonds6

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

N-[[(1S,5R)-3-(2-fluoro-2-methylpropyl)-3-azabicyclo[3.1.0]hexan-6-yl]methyl]-3-propan-2-ylimidazo[1,5-a]pyridine-1-carboxamide (PubChem CID 127039374) has the molecular formula C21H29FN4O and a molecular weight of 372.49 g/mol. Its IUPAC name is N-[[(1S,5R)-3-(2-fluoro-2-methylpropyl)-3-azabicyclo[3.1.0]hexan-6-yl]methyl]-3-propan-2-ylimidazo[1,5-a]pyridine-1-carboxamide.

Molecular Properties

Compound NameN-[[(1S,5R)-3-(2-fluoro-2-methylpropyl)-3-azabicyclo[3.1.0]hexan-6-yl]methyl]-3-propan-2-ylimidazo[1,5-a]pyridine-1-carboxamide
PubChem CID127039374
Molecular FormulaC21H29FN4O
Molecular Weight372.49 g/mol
Exact Mass372.23
IUPAC NameN-[[(1S,5R)-3-(2-fluoro-2-methylpropyl)-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)F)C[C@@H]23)c2ccccn12
InChIInChI=1S/C21H29FN4O/c1-13(2)19-24-18(17-7-5-6-8-26(17)19)20(27)23-9-14-15-10-25(11-16(14)15)12-21(3,4)22/h5-8,13-16H,9-12H2,1-4H3,(H,23,27)/t14?,15-,16+
InChIKeySYFAKTJKSMZVGT-MQVJKMGUSA-N
XLogP3.11
TPSA49.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.49
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[[(1S,5R)-3-(2-fluoro-2-methylpropyl)-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-[[(1S,5R)-3-(2-fluoro-2-methylpropyl)-3-azabicyclo[3.1.0]hexan-6-yl]methyl]-3-propan-2-ylimidazo[1,5-a]pyridine-1-carboxamide?
The IUPAC name of N-[[(1S,5R)-3-(2-fluoro-2-methylpropyl)-3-azabicyclo[3.1.0]hexan-6-yl]methyl]-3-propan-2-ylimidazo[1,5-a]pyridine-1-carboxamide (CID 127039374) is N-[[(1S,5R)-3-(2-fluoro-2-methylpropyl)-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-[[(1S,5R)-3-(2-fluoro-2-methylpropyl)-3-azabicyclo[3.1.0]hexan-6-yl]methyl]-3-propan-2-ylimidazo[1,5-a]pyridine-1-carboxamide?
The canonical SMILES for N-[[(1S,5R)-3-(2-fluoro-2-methylpropyl)-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)F)C[C@@H]23)c2ccccn12.
What is the InChIKey of N-[[(1S,5R)-3-(2-fluoro-2-methylpropyl)-3-azabicyclo[3.1.0]hexan-6-yl]methyl]-3-propan-2-ylimidazo[1,5-a]pyridine-1-carboxamide?
The InChIKey is SYFAKTJKSMZVGT-MQVJKMGUSA-N. The full InChI is InChI=1S/C21H29FN4O/c1-13(2)19-24-18(17-7-5-6-8-26(17)19)20(27)23-9-14-15-10-25(11-16(14)15)12-21(3,4)22/h5-8,13-16H,9-12H2,1-4H3,(H,23,27)/t14?,15-,16+.
What are the key properties of N-[[(1S,5R)-3-(2-fluoro-2-methylpropyl)-3-azabicyclo[3.1.0]hexan-6-yl]methyl]-3-propan-2-ylimidazo[1,5-a]pyridine-1-carboxamide?
N-[[(1S,5R)-3-(2-fluoro-2-methylpropyl)-3-azabicyclo[3.1.0]hexan-6-yl]methyl]-3-propan-2-ylimidazo[1,5-a]pyridine-1-carboxamide has a molecular weight of 372.49 g/mol, XLogP of 3.11, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(1S,5R)-3-(2-fluoro-2-methylpropyl)-3-azabicyclo[3.1.0]hexan-6-yl]methyl]-3-propan-2-ylimidazo[1,5-a]pyridine-1-carboxamide is sourced from PubChem (CID 127039374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).