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

C21H30N4O2 — CID 127037821

IUPACN-[[(1S,5R)-3-(2-hydroxy-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)O)C[C@@H]23)c2ccccn12
InChIInChI=1S/C21H30N4O2/c1-13(2)19-23-18(17-7-5-6-8-25(17)19)20(26)22-9-14-15-10-24(11-16(14)15)12-21(3,4)27/h5-8,13-16,27H,9-12H2,1-4H3,(H,22,26)/t14?,15-,16+
InChIKeySNDZYLYWJVRQAH-MQVJKMGUSA-N
MW370.50 g/mol
LogP2.14
Rot. Bonds6

About N-[[(1S,5R)-3-(2-hydroxy-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-hydroxy-2-methylpropyl)-3-azabicyclo[3.1.0]hexan-6-yl]methyl]-3-propan-2-ylimidazo[1,5-a]pyridine-1-carboxamide (PubChem CID 127037821) has the molecular formula C21H30N4O2 and a molecular weight of 370.50 g/mol. Its IUPAC name is N-[[(1S,5R)-3-(2-hydroxy-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-hydroxy-2-methylpropyl)-3-azabicyclo[3.1.0]hexan-6-yl]methyl]-3-propan-2-ylimidazo[1,5-a]pyridine-1-carboxamide
PubChem CID127037821
Molecular FormulaC21H30N4O2
Molecular Weight370.50 g/mol
Exact Mass370.24
IUPAC NameN-[[(1S,5R)-3-(2-hydroxy-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)O)C[C@@H]23)c2ccccn12
InChIInChI=1S/C21H30N4O2/c1-13(2)19-23-18(17-7-5-6-8-25(17)19)20(26)22-9-14-15-10-24(11-16(14)15)12-21(3,4)27/h5-8,13-16,27H,9-12H2,1-4H3,(H,22,26)/t14?,15-,16+
InChIKeySNDZYLYWJVRQAH-MQVJKMGUSA-N
XLogP2.14
TPSA69.87 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.50
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[[(1S,5R)-3-(2-hydroxy-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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Related Compounds

6-cyclopropyl-N-[5-fluoro-2-[(2-hydroxy-2-methylpropyl)carbamoyl]phenyl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide
CID 58548190
6-cyclopropyl-N-[2-[(2-hydroxy-2-methylpropyl)carbamoyl]-6-methyl-3-pyridinyl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide
CID 58548204
6-cyclopropyl-N-[6-ethyl-2-[(2-hydroxy-2-methylpropyl)carbamoyl]-3-pyridinyl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide
CID 58548416
6-cyclopropyl-N-[3,4-difluoro-2-[(2-hydroxy-2-methylpropyl)carbamoyl]phenyl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide
CID 58548180
6-cyclopropyl-N-[3-fluoro-2-[(2-hydroxy-2-methylpropyl)carbamoyl]phenyl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide
CID 58548232
6-cyclopropyl-N-[3,5-difluoro-2-[(2-hydroxy-2-methylpropyl)carbamoyl]phenyl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide
CID 58548275
6-cyclopropyl-N-[4-fluoro-2-[(2-hydroxy-2-methylpropyl)carbamoyl]phenyl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide
CID 58548305
6-cyclopropyl-3-(pyrimidin-5-ylamino)-N-[2-(pyrrolidine-1-carbonyl)-3-pyridinyl]pyrazine-2-carboxamide
CID 58548310
6-cyclopropyl-N-[2-fluoro-6-[(2-hydroxy-2-methylpropyl)carbamoyl]phenyl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide
CID 58548333
6-cyclopropyl-N-[2-(dimethylcarbamoyl)-6-methyl-3-pyridinyl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide
CID 58548397
6-cyclopropyl-N-[6-methyl-2-(methylcarbamoyl)-3-pyridinyl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide
CID 58548412
6-cyclopropyl-N-[2,3-difluoro-6-[(2-hydroxy-2-methylpropyl)carbamoyl]phenyl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide
CID 58548418

Frequently Asked Questions

What is the IUPAC name of N-[[(1S,5R)-3-(2-hydroxy-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-hydroxy-2-methylpropyl)-3-azabicyclo[3.1.0]hexan-6-yl]methyl]-3-propan-2-ylimidazo[1,5-a]pyridine-1-carboxamide (CID 127037821) is N-[[(1S,5R)-3-(2-hydroxy-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-hydroxy-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-hydroxy-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)O)C[C@@H]23)c2ccccn12.
What is the InChIKey of N-[[(1S,5R)-3-(2-hydroxy-2-methylpropyl)-3-azabicyclo[3.1.0]hexan-6-yl]methyl]-3-propan-2-ylimidazo[1,5-a]pyridine-1-carboxamide?
The InChIKey is SNDZYLYWJVRQAH-MQVJKMGUSA-N. The full InChI is InChI=1S/C21H30N4O2/c1-13(2)19-23-18(17-7-5-6-8-25(17)19)20(26)22-9-14-15-10-24(11-16(14)15)12-21(3,4)27/h5-8,13-16,27H,9-12H2,1-4H3,(H,22,26)/t14?,15-,16+.
What are the key properties of N-[[(1S,5R)-3-(2-hydroxy-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-hydroxy-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 370.50 g/mol, XLogP of 2.14, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(1S,5R)-3-(2-hydroxy-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 127037821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).