3-(1-benzylimidazol-4-yl)-N-[[(2R)-oxolan-2-yl]methyl]imidazo[1,5-a]pyridine-1-carboxamide

C23H23N5O2 — CID 97447006

IUPAC3-(1-benzylimidazol-4-yl)-N-[[(2R)-oxolan-2-yl]methyl]imidazo[1,5-a]pyridine-1-carboxamide
SMILESO=C(NC[C@H]1CCCO1)c1nc(-c2cn(Cc3ccccc3)cn2)n2ccccc12
InChIInChI=1S/C23H23N5O2/c29-23(24-13-18-9-6-12-30-18)21-20-10-4-5-11-28(20)22(26-21)19-15-27(16-25-19)14-17-7-2-1-3-8-17/h1-5,7-8,10-11,15-16,18H,6,9,12-14H2,(H,24,29)/t18-/m1/s1
InChIKeyRWXKQPLNKCOYFX-GOSISDBHSA-N
MW401.47 g/mol
LogP3.15
Rot. Bonds6

About 3-(1-benzylimidazol-4-yl)-N-[[(2R)-oxolan-2-yl]methyl]imidazo[1,5-a]pyridine-1-carboxamide

3-(1-benzylimidazol-4-yl)-N-[[(2R)-oxolan-2-yl]methyl]imidazo[1,5-a]pyridine-1-carboxamide (PubChem CID 97447006) has the molecular formula C23H23N5O2 and a molecular weight of 401.47 g/mol. Its IUPAC name is 3-(1-benzylimidazol-4-yl)-N-[[(2R)-oxolan-2-yl]methyl]imidazo[1,5-a]pyridine-1-carboxamide.

Molecular Properties

Compound Name3-(1-benzylimidazol-4-yl)-N-[[(2R)-oxolan-2-yl]methyl]imidazo[1,5-a]pyridine-1-carboxamide
PubChem CID97447006
Molecular FormulaC23H23N5O2
Molecular Weight401.47 g/mol
Exact Mass401.19
IUPAC Name3-(1-benzylimidazol-4-yl)-N-[[(2R)-oxolan-2-yl]methyl]imidazo[1,5-a]pyridine-1-carboxamide
SMILESO=C(NC[C@H]1CCCO1)c1nc(-c2cn(Cc3ccccc3)cn2)n2ccccc12
InChIInChI=1S/C23H23N5O2/c29-23(24-13-18-9-6-12-30-18)21-20-10-4-5-11-28(20)22(26-21)19-15-27(16-25-19)14-17-7-2-1-3-8-17/h1-5,7-8,10-11,15-16,18H,6,9,12-14H2,(H,24,29)/t18-/m1/s1
InChIKeyRWXKQPLNKCOYFX-GOSISDBHSA-N
XLogP3.15
TPSA73.45 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.47
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-benzyl-N-ethyl-3-[1-[[(2S)-oxolan-2-yl]methyl]imidazol-4-yl]imidazo[1,5-a]pyridine-1-carboxamide
CID 97447157
3-(1-benzylimidazol-4-yl)-N-(3-methoxypropyl)imidazo[1,5-a]pyridine-1-carboxamide
CID 97361970
3-[1-[(2-methyl-1,3-thiazol-4-yl)methyl]imidazol-4-yl]-N-[[(2R)-oxolan-2-yl]methyl]indolizine-1-carboxamide
CID 97446925
1-N-(5-methyl-1,2-oxazol-3-yl)-3-N-(oxolan-2-ylmethyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109069566
3-N-(3-methylphenyl)-1-N-(oxolan-2-ylmethyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109069484
3-N-(3-methylbutyl)-1-N-(oxolan-2-ylmethyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109069475
3-N-(4-methoxyphenyl)-1-N-(oxolan-2-ylmethyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109069504
4-benzyl-2-methyl-N-[[(2S)-oxolan-2-yl]methyl]thieno[3,2-b]pyrrole-5-carboxamide
CID 93327510
4-(imidazol-1-ylmethyl)-N-[[(2R)-oxolan-2-yl]methyl]benzamide
CID 93491347
5-[(3,5-dimethylphenyl)methyl]-4-oxo-N-(oxolan-2-ylmethyl)pyrrolo[1,2-a]quinoxaline-7-carboxamide
CID 23987968
N-(oxolan-2-ylmethyl)-3-phenylmethoxy-1,2-oxazole-5-carboxamide
CID 90574102
N-[[(2R)-oxolan-2-yl]methyl]-1-phenylimidazole-4-carboxamide
CID 100816447

Frequently Asked Questions

What is the IUPAC name of 3-(1-benzylimidazol-4-yl)-N-[[(2R)-oxolan-2-yl]methyl]imidazo[1,5-a]pyridine-1-carboxamide?
The IUPAC name of 3-(1-benzylimidazol-4-yl)-N-[[(2R)-oxolan-2-yl]methyl]imidazo[1,5-a]pyridine-1-carboxamide (CID 97447006) is 3-(1-benzylimidazol-4-yl)-N-[[(2R)-oxolan-2-yl]methyl]imidazo[1,5-a]pyridine-1-carboxamide.
What is the SMILES notation for 3-(1-benzylimidazol-4-yl)-N-[[(2R)-oxolan-2-yl]methyl]imidazo[1,5-a]pyridine-1-carboxamide?
The canonical SMILES for 3-(1-benzylimidazol-4-yl)-N-[[(2R)-oxolan-2-yl]methyl]imidazo[1,5-a]pyridine-1-carboxamide is O=C(NC[C@H]1CCCO1)c1nc(-c2cn(Cc3ccccc3)cn2)n2ccccc12.
What is the InChIKey of 3-(1-benzylimidazol-4-yl)-N-[[(2R)-oxolan-2-yl]methyl]imidazo[1,5-a]pyridine-1-carboxamide?
The InChIKey is RWXKQPLNKCOYFX-GOSISDBHSA-N. The full InChI is InChI=1S/C23H23N5O2/c29-23(24-13-18-9-6-12-30-18)21-20-10-4-5-11-28(20)22(26-21)19-15-27(16-25-19)14-17-7-2-1-3-8-17/h1-5,7-8,10-11,15-16,18H,6,9,12-14H2,(H,24,29)/t18-/m1/s1.
What are the key properties of 3-(1-benzylimidazol-4-yl)-N-[[(2R)-oxolan-2-yl]methyl]imidazo[1,5-a]pyridine-1-carboxamide?
3-(1-benzylimidazol-4-yl)-N-[[(2R)-oxolan-2-yl]methyl]imidazo[1,5-a]pyridine-1-carboxamide has a molecular weight of 401.47 g/mol, XLogP of 3.15, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-benzylimidazol-4-yl)-N-[[(2R)-oxolan-2-yl]methyl]imidazo[1,5-a]pyridine-1-carboxamide is sourced from PubChem (CID 97447006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).