[4-(imidazo[1,5-a]pyridine-3-carbonyl)-2,3-dihydro-1,4-benzoxazin-2-yl]-piperidin-1-ylmethanone

C22H22N4O3 — CID 167879033

IUPAC[4-(imidazo[1,5-a]pyridine-3-carbonyl)-2,3-dihydro-1,4-benzoxazin-2-yl]-piperidin-1-ylmethanone
SMILESO=C(C1CN(C(=O)c2ncc3ccccn23)c2ccccc2O1)N1CCCCC1
InChIInChI=1S/C22H22N4O3/c27-21(24-11-5-1-6-12-24)19-15-26(17-9-2-3-10-18(17)29-19)22(28)20-23-14-16-8-4-7-13-25(16)20/h2-4,7-10,13-14,19H,1,5-6,11-12,15H2
InChIKeyWESNOCPWSMJLMV-UHFFFAOYSA-N
MW390.44 g/mol
LogP2.75
Rot. Bonds2

About [4-(imidazo[1,5-a]pyridine-3-carbonyl)-2,3-dihydro-1,4-benzoxazin-2-yl]-piperidin-1-ylmethanone

[4-(imidazo[1,5-a]pyridine-3-carbonyl)-2,3-dihydro-1,4-benzoxazin-2-yl]-piperidin-1-ylmethanone (PubChem CID 167879033) has the molecular formula C22H22N4O3 and a molecular weight of 390.44 g/mol. Its IUPAC name is [4-(imidazo[1,5-a]pyridine-3-carbonyl)-2,3-dihydro-1,4-benzoxazin-2-yl]-piperidin-1-ylmethanone.

Molecular Properties

Compound Name[4-(imidazo[1,5-a]pyridine-3-carbonyl)-2,3-dihydro-1,4-benzoxazin-2-yl]-piperidin-1-ylmethanone
PubChem CID167879033
Molecular FormulaC22H22N4O3
Molecular Weight390.44 g/mol
Exact Mass390.17
IUPAC Name[4-(imidazo[1,5-a]pyridine-3-carbonyl)-2,3-dihydro-1,4-benzoxazin-2-yl]-piperidin-1-ylmethanone
SMILESO=C(C1CN(C(=O)c2ncc3ccccn23)c2ccccc2O1)N1CCCCC1
InChIInChI=1S/C22H22N4O3/c27-21(24-11-5-1-6-12-24)19-15-26(17-9-2-3-10-18(17)29-19)22(28)20-23-14-16-8-4-7-13-25(16)20/h2-4,7-10,13-14,19H,1,5-6,11-12,15H2
InChIKeyWESNOCPWSMJLMV-UHFFFAOYSA-N
XLogP2.75
TPSA67.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.44
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[(2S)-4-(6-chloropyridine-3-carbonyl)-2,3-dihydro-1,4-benzoxazin-2-yl]-piperidin-1-ylmethanone
CID 8944812
cyclohexyl-[(2R)-2-(piperidine-1-carbonyl)-2,3-dihydro-1,4-benzoxazin-4-yl]methanone
CID 8944781
piperidin-1-yl-[(2R)-4-(3-pyrrol-1-ylbenzoyl)-2,3-dihydro-1,4-benzoxazin-2-yl]methanone
CID 25353337
[(2R)-4-(3,4-difluorobenzoyl)-2,3-dihydro-1,4-benzoxazin-2-yl]-piperidin-1-ylmethanone
CID 8944843
[(2S)-4-(3,4-dimethylbenzoyl)-2,3-dihydro-1,4-benzoxazin-2-yl]-piperidin-1-ylmethanone
CID 8944834
1-[2-[4-(piperidine-1-carbonyl)piperazine-1-carbonyl]-2,3-dihydro-1,4-benzoxazin-4-yl]ethanone
CID 18153003
[(2S)-4-(2H-chromene-3-carbonyl)-2,3-dihydro-1,4-benzoxazin-2-yl]-piperidin-1-ylmethanone
CID 9393976
1-[(2R)-2-[4-(azepane-1-carbonyl)piperidine-1-carbonyl]-2,3-dihydro-1,4-benzoxazin-4-yl]ethanone
CID 41023235
2-chloro-2-fluoro-1-[2-(piperidine-1-carbonyl)-2,3-dihydro-1,4-benzoxazin-4-yl]ethanone
CID 166430950
[(2R)-4-(4-butoxybenzoyl)-2,3-dihydro-1,4-benzoxazin-2-yl]-piperidin-1-ylmethanone
CID 8944847
[(2S)-4-[4-(5-methylpyrazol-1-yl)benzoyl]-2,3-dihydro-1,4-benzoxazin-2-yl]-piperidin-1-ylmethanone
CID 41250789
piperidin-1-yl-[4-(4,5,6,7-tetrahydro-1-benzothiophene-2-carbonyl)-2,3-dihydro-1,4-benzoxazin-2-yl]methanone
CID 17466523

Frequently Asked Questions

What is the IUPAC name of [4-(imidazo[1,5-a]pyridine-3-carbonyl)-2,3-dihydro-1,4-benzoxazin-2-yl]-piperidin-1-ylmethanone?
The IUPAC name of [4-(imidazo[1,5-a]pyridine-3-carbonyl)-2,3-dihydro-1,4-benzoxazin-2-yl]-piperidin-1-ylmethanone (CID 167879033) is [4-(imidazo[1,5-a]pyridine-3-carbonyl)-2,3-dihydro-1,4-benzoxazin-2-yl]-piperidin-1-ylmethanone.
What is the SMILES notation for [4-(imidazo[1,5-a]pyridine-3-carbonyl)-2,3-dihydro-1,4-benzoxazin-2-yl]-piperidin-1-ylmethanone?
The canonical SMILES for [4-(imidazo[1,5-a]pyridine-3-carbonyl)-2,3-dihydro-1,4-benzoxazin-2-yl]-piperidin-1-ylmethanone is O=C(C1CN(C(=O)c2ncc3ccccn23)c2ccccc2O1)N1CCCCC1.
What is the InChIKey of [4-(imidazo[1,5-a]pyridine-3-carbonyl)-2,3-dihydro-1,4-benzoxazin-2-yl]-piperidin-1-ylmethanone?
The InChIKey is WESNOCPWSMJLMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N4O3/c27-21(24-11-5-1-6-12-24)19-15-26(17-9-2-3-10-18(17)29-19)22(28)20-23-14-16-8-4-7-13-25(16)20/h2-4,7-10,13-14,19H,1,5-6,11-12,15H2.
What are the key properties of [4-(imidazo[1,5-a]pyridine-3-carbonyl)-2,3-dihydro-1,4-benzoxazin-2-yl]-piperidin-1-ylmethanone?
[4-(imidazo[1,5-a]pyridine-3-carbonyl)-2,3-dihydro-1,4-benzoxazin-2-yl]-piperidin-1-ylmethanone has a molecular weight of 390.44 g/mol, XLogP of 2.75, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(imidazo[1,5-a]pyridine-3-carbonyl)-2,3-dihydro-1,4-benzoxazin-2-yl]-piperidin-1-ylmethanone is sourced from PubChem (CID 167879033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).