3-tert-butyl-N-[[1-(hydroxymethyl)cyclohexyl]methyl]imidazo[1,5-a]pyridine-1-carboxamide

C20H29N3O2 — CID 110631484

IUPAC3-tert-butyl-N-[[1-(hydroxymethyl)cyclohexyl]methyl]imidazo[1,5-a]pyridine-1-carboxamide
SMILESCC(C)(C)c1nc(C(=O)NCC2(CO)CCCCC2)c2ccccn12
InChIInChI=1S/C20H29N3O2/c1-19(2,3)18-22-16(15-9-5-8-12-23(15)18)17(25)21-13-20(14-24)10-6-4-7-11-20/h5,8-9,12,24H,4,6-7,10-11,13-14H2,1-3H3,(H,21,25)
InChIKeyALGYCEIVPCSLQN-UHFFFAOYSA-N
MW343.47 g/mol
LogP3.30
Rot. Bonds4

About 3-tert-butyl-N-[[1-(hydroxymethyl)cyclohexyl]methyl]imidazo[1,5-a]pyridine-1-carboxamide

3-tert-butyl-N-[[1-(hydroxymethyl)cyclohexyl]methyl]imidazo[1,5-a]pyridine-1-carboxamide (PubChem CID 110631484) has the molecular formula C20H29N3O2 and a molecular weight of 343.47 g/mol. Its IUPAC name is 3-tert-butyl-N-[[1-(hydroxymethyl)cyclohexyl]methyl]imidazo[1,5-a]pyridine-1-carboxamide.

Molecular Properties

Compound Name3-tert-butyl-N-[[1-(hydroxymethyl)cyclohexyl]methyl]imidazo[1,5-a]pyridine-1-carboxamide
PubChem CID110631484
Molecular FormulaC20H29N3O2
Molecular Weight343.47 g/mol
Exact Mass343.23
IUPAC Name3-tert-butyl-N-[[1-(hydroxymethyl)cyclohexyl]methyl]imidazo[1,5-a]pyridine-1-carboxamide
SMILESCC(C)(C)c1nc(C(=O)NCC2(CO)CCCCC2)c2ccccn12
InChIInChI=1S/C20H29N3O2/c1-19(2,3)18-22-16(15-9-5-8-12-23(15)18)17(25)21-13-20(14-24)10-6-4-7-11-20/h5,8-9,12,24H,4,6-7,10-11,13-14H2,1-3H3,(H,21,25)
InChIKeyALGYCEIVPCSLQN-UHFFFAOYSA-N
XLogP3.30
TPSA66.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.47
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-cyclopropyl-N-[[1-(hydroxymethyl)cyclobutyl]methyl]imidazo[1,5-a]pyridine-1-carboxamide
CID 57453264
3-(4-fluorophenyl)-N-[[1-(hydroxymethyl)cyclopentyl]methyl]imidazo[1,5-a]pyridine-1-carboxamide;2,2,2-trifluoroacetic acid
CID 173128485
3-tert-butyl-N-(2-piperidin-1-ylpropyl)imidazo[1,5-a]pyridine-1-carboxamide
CID 110620585
3-[(4,4-difluoropiperidin-1-yl)methyl]-N-[[1-(hydroxymethyl)cyclohexyl]methyl]imidazo[1,5-a]pyridine-1-carboxamide;bis(2,2,2-trifluoroacetic acid)
CID 171926378
3-bromo-N-[[3-(hydroxymethyl)oxetan-3-yl]methyl]imidazo[1,5-a]pyridine-1-carboxamide
CID 154869565
3-tert-butyl-N-[2-(cyclopropylamino)-2-oxoethyl]imidazo[1,5-a]pyridine-1-carboxamide
CID 110625076
N-[[1-(hydroxymethyl)cyclohexyl]methyl]-1-propylpyrrole-2-carboxamide
CID 103968979
2-[[1-(hydroxymethyl)cyclohexyl]methylcarbamoyl]benzoic acid
CID 103965490
3-(4-amino-2-methylbutan-2-yl)imidazo[1,5-a]pyridine-1-carboxylic acid
CID 116984015
(3-tert-butylimidazo[1,5-a]pyridin-1-yl)-[3-(hydroxymethyl)piperidin-1-yl]methanone
CID 110633201
3-(4-fluorophenyl)-N-[(2-methyloxolan-2-yl)methyl]imidazo[1,5-a]pyridine-1-carboxamide;2,2,2-trifluoroacetic acid
CID 171925666
N-[[1-(hydroxymethyl)cyclohexyl]methyl]-1-propan-2-ylpyrrole-2-carboxamide
CID 115869201

Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-N-[[1-(hydroxymethyl)cyclohexyl]methyl]imidazo[1,5-a]pyridine-1-carboxamide?
The IUPAC name of 3-tert-butyl-N-[[1-(hydroxymethyl)cyclohexyl]methyl]imidazo[1,5-a]pyridine-1-carboxamide (CID 110631484) is 3-tert-butyl-N-[[1-(hydroxymethyl)cyclohexyl]methyl]imidazo[1,5-a]pyridine-1-carboxamide.
What is the SMILES notation for 3-tert-butyl-N-[[1-(hydroxymethyl)cyclohexyl]methyl]imidazo[1,5-a]pyridine-1-carboxamide?
The canonical SMILES for 3-tert-butyl-N-[[1-(hydroxymethyl)cyclohexyl]methyl]imidazo[1,5-a]pyridine-1-carboxamide is CC(C)(C)c1nc(C(=O)NCC2(CO)CCCCC2)c2ccccn12.
What is the InChIKey of 3-tert-butyl-N-[[1-(hydroxymethyl)cyclohexyl]methyl]imidazo[1,5-a]pyridine-1-carboxamide?
The InChIKey is ALGYCEIVPCSLQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N3O2/c1-19(2,3)18-22-16(15-9-5-8-12-23(15)18)17(25)21-13-20(14-24)10-6-4-7-11-20/h5,8-9,12,24H,4,6-7,10-11,13-14H2,1-3H3,(H,21,25).
What are the key properties of 3-tert-butyl-N-[[1-(hydroxymethyl)cyclohexyl]methyl]imidazo[1,5-a]pyridine-1-carboxamide?
3-tert-butyl-N-[[1-(hydroxymethyl)cyclohexyl]methyl]imidazo[1,5-a]pyridine-1-carboxamide has a molecular weight of 343.47 g/mol, XLogP of 3.30, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-N-[[1-(hydroxymethyl)cyclohexyl]methyl]imidazo[1,5-a]pyridine-1-carboxamide is sourced from PubChem (CID 110631484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).