N-benzyl-N-ethyl-3-[1-[[(2S)-oxolan-2-yl]methyl]imidazol-4-yl]imidazo[1,5-a]pyridine-1-carboxamide

C25H27N5O2 — CID 97447157

IUPACN-benzyl-N-ethyl-3-[1-[[(2S)-oxolan-2-yl]methyl]imidazol-4-yl]imidazo[1,5-a]pyridine-1-carboxamide
SMILESCCN(Cc1ccccc1)C(=O)c1nc(-c2cn(C[C@@H]3CCCO3)cn2)n2ccccc12
InChIInChI=1S/C25H27N5O2/c1-2-29(15-19-9-4-3-5-10-19)25(31)23-22-12-6-7-13-30(22)24(27-23)21-17-28(18-26-21)16-20-11-8-14-32-20/h3-7,9-10,12-13,17-18,20H,2,8,11,14-16H2,1H3/t20-/m0/s1
InChIKeyJYWMMEHQAXDMPL-FQEVSTJZSA-N
MW429.52 g/mol
LogP4.04
Rot. Bonds7

About N-benzyl-N-ethyl-3-[1-[[(2S)-oxolan-2-yl]methyl]imidazol-4-yl]imidazo[1,5-a]pyridine-1-carboxamide

N-benzyl-N-ethyl-3-[1-[[(2S)-oxolan-2-yl]methyl]imidazol-4-yl]imidazo[1,5-a]pyridine-1-carboxamide (PubChem CID 97447157) has the molecular formula C25H27N5O2 and a molecular weight of 429.52 g/mol. Its IUPAC name is N-benzyl-N-ethyl-3-[1-[[(2S)-oxolan-2-yl]methyl]imidazol-4-yl]imidazo[1,5-a]pyridine-1-carboxamide.

Molecular Properties

Compound NameN-benzyl-N-ethyl-3-[1-[[(2S)-oxolan-2-yl]methyl]imidazol-4-yl]imidazo[1,5-a]pyridine-1-carboxamide
PubChem CID97447157
Molecular FormulaC25H27N5O2
Molecular Weight429.52 g/mol
Exact Mass429.22
IUPAC NameN-benzyl-N-ethyl-3-[1-[[(2S)-oxolan-2-yl]methyl]imidazol-4-yl]imidazo[1,5-a]pyridine-1-carboxamide
SMILESCCN(Cc1ccccc1)C(=O)c1nc(-c2cn(C[C@@H]3CCCO3)cn2)n2ccccc12
InChIInChI=1S/C25H27N5O2/c1-2-29(15-19-9-4-3-5-10-19)25(31)23-22-12-6-7-13-30(22)24(27-23)21-17-28(18-26-21)16-20-11-8-14-32-20/h3-7,9-10,12-13,17-18,20H,2,8,11,14-16H2,1H3/t20-/m0/s1
InChIKeyJYWMMEHQAXDMPL-FQEVSTJZSA-N
XLogP4.04
TPSA64.66 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.52
LogP ≤ 54.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

3-(1-benzylimidazol-4-yl)-N-[[(2R)-oxolan-2-yl]methyl]imidazo[1,5-a]pyridine-1-carboxamide
CID 97447006
3-(1-benzylimidazol-4-yl)-N-(3-methoxypropyl)imidazo[1,5-a]pyridine-1-carboxamide
CID 97361970
N-[[2-benzylsulfonyl-3-[[(2S)-oxolan-2-yl]methyl]imidazol-4-yl]methyl]-N-ethyl-2-methylbenzamide
CID 93146989
1-[3-(oxolan-2-yl)propyl]-3-(1-phenylimidazol-4-yl)imidazo[1,5-a]pyridine
CID 159263329
[(2S)-oxolan-2-yl]methyl 3-methylimidazo[1,5-a]pyridine-1-carboxylate
CID 95635933
N-benzyl-N-ethyl-2-(oxolan-2-ylmethoxy)propanamide
CID 48846486
3-[1-[(2-methyl-1,3-thiazol-4-yl)methyl]imidazol-4-yl]-N-[[(2R)-oxolan-2-yl]methyl]indolizine-1-carboxamide
CID 97446925
N-[[2-benzylsulfonyl-3-(oxolan-2-ylmethyl)imidazol-4-yl]methyl]-3-chloro-N-ethylbenzamide
CID 83282315
1-N-(5-methyl-1,2-oxazol-3-yl)-3-N-(oxolan-2-ylmethyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109069566
N-(1,3-benzodioxol-5-ylmethyl)-N-ethyl-3-methylsulfonylimidazo[1,5-a]pyridine-1-carboxamide
CID 47781283
N-benzyl-N-ethyl-1-methyl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
CID 110389010
N-ethyl-2-[1-(oxolan-2-ylmethyl)tetrazol-5-yl]sulfanyl-N-[(4-phenylmethoxyphenyl)methyl]acetamide
CID 55442214

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-ethyl-3-[1-[[(2S)-oxolan-2-yl]methyl]imidazol-4-yl]imidazo[1,5-a]pyridine-1-carboxamide?
The IUPAC name of N-benzyl-N-ethyl-3-[1-[[(2S)-oxolan-2-yl]methyl]imidazol-4-yl]imidazo[1,5-a]pyridine-1-carboxamide (CID 97447157) is N-benzyl-N-ethyl-3-[1-[[(2S)-oxolan-2-yl]methyl]imidazol-4-yl]imidazo[1,5-a]pyridine-1-carboxamide.
What is the SMILES notation for N-benzyl-N-ethyl-3-[1-[[(2S)-oxolan-2-yl]methyl]imidazol-4-yl]imidazo[1,5-a]pyridine-1-carboxamide?
The canonical SMILES for N-benzyl-N-ethyl-3-[1-[[(2S)-oxolan-2-yl]methyl]imidazol-4-yl]imidazo[1,5-a]pyridine-1-carboxamide is CCN(Cc1ccccc1)C(=O)c1nc(-c2cn(C[C@@H]3CCCO3)cn2)n2ccccc12.
What is the InChIKey of N-benzyl-N-ethyl-3-[1-[[(2S)-oxolan-2-yl]methyl]imidazol-4-yl]imidazo[1,5-a]pyridine-1-carboxamide?
The InChIKey is JYWMMEHQAXDMPL-FQEVSTJZSA-N. The full InChI is InChI=1S/C25H27N5O2/c1-2-29(15-19-9-4-3-5-10-19)25(31)23-22-12-6-7-13-30(22)24(27-23)21-17-28(18-26-21)16-20-11-8-14-32-20/h3-7,9-10,12-13,17-18,20H,2,8,11,14-16H2,1H3/t20-/m0/s1.
What are the key properties of N-benzyl-N-ethyl-3-[1-[[(2S)-oxolan-2-yl]methyl]imidazol-4-yl]imidazo[1,5-a]pyridine-1-carboxamide?
N-benzyl-N-ethyl-3-[1-[[(2S)-oxolan-2-yl]methyl]imidazol-4-yl]imidazo[1,5-a]pyridine-1-carboxamide has a molecular weight of 429.52 g/mol, XLogP of 4.04, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-ethyl-3-[1-[[(2S)-oxolan-2-yl]methyl]imidazol-4-yl]imidazo[1,5-a]pyridine-1-carboxamide is sourced from PubChem (CID 97447157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).