3-(1-acetylpiperidin-4-yl)-1-[4-(morpholine-4-carbonyl)anilino]-7H-imidazo[1,5-a]pyrazin-8-one

C24H28N6O4 — CID 164523220

IUPAC3-(1-acetylpiperidin-4-yl)-1-[4-(morpholine-4-carbonyl)anilino]-7H-imidazo[1,5-a]pyrazin-8-one
SMILESCC(=O)N1CCC(c2nc(Nc3ccc(C(=O)N4CCOCC4)cc3)c3c(=O)[nH]ccn23)CC1
InChIInChI=1S/C24H28N6O4/c1-16(31)28-9-6-17(7-10-28)22-27-21(20-23(32)25-8-11-30(20)22)26-19-4-2-18(3-5-19)24(33)29-12-14-34-15-13-29/h2-5,8,11,17,26H,6-7,9-10,12-15H2,1H3,(H,25,32)
InChIKeyIXDBSISXQMZQSJ-UHFFFAOYSA-N
MW464.53 g/mol
LogP1.96
Rot. Bonds4

About 3-(1-acetylpiperidin-4-yl)-1-[4-(morpholine-4-carbonyl)anilino]-7H-imidazo[1,5-a]pyrazin-8-one

3-(1-acetylpiperidin-4-yl)-1-[4-(morpholine-4-carbonyl)anilino]-7H-imidazo[1,5-a]pyrazin-8-one (PubChem CID 164523220) has the molecular formula C24H28N6O4 and a molecular weight of 464.53 g/mol. Its IUPAC name is 3-(1-acetylpiperidin-4-yl)-1-[4-(morpholine-4-carbonyl)anilino]-7H-imidazo[1,5-a]pyrazin-8-one.

Molecular Properties

Compound Name3-(1-acetylpiperidin-4-yl)-1-[4-(morpholine-4-carbonyl)anilino]-7H-imidazo[1,5-a]pyrazin-8-one
PubChem CID164523220
Molecular FormulaC24H28N6O4
Molecular Weight464.53 g/mol
Exact Mass464.22
IUPAC Name3-(1-acetylpiperidin-4-yl)-1-[4-(morpholine-4-carbonyl)anilino]-7H-imidazo[1,5-a]pyrazin-8-one
SMILESCC(=O)N1CCC(c2nc(Nc3ccc(C(=O)N4CCOCC4)cc3)c3c(=O)[nH]ccn23)CC1
InChIInChI=1S/C24H28N6O4/c1-16(31)28-9-6-17(7-10-28)22-27-21(20-23(32)25-8-11-30(20)22)26-19-4-2-18(3-5-19)24(33)29-12-14-34-15-13-29/h2-5,8,11,17,26H,6-7,9-10,12-15H2,1H3,(H,25,32)
InChIKeyIXDBSISXQMZQSJ-UHFFFAOYSA-N
XLogP1.96
TPSA112.04 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.53
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-(1-acetylpiperidin-4-yl)-1-[4-(morpholine-4-carbonyl)anilino]-7H-imidazo[1,5-a]pyrazin-8-one?
The IUPAC name of 3-(1-acetylpiperidin-4-yl)-1-[4-(morpholine-4-carbonyl)anilino]-7H-imidazo[1,5-a]pyrazin-8-one (CID 164523220) is 3-(1-acetylpiperidin-4-yl)-1-[4-(morpholine-4-carbonyl)anilino]-7H-imidazo[1,5-a]pyrazin-8-one.
What is the SMILES notation for 3-(1-acetylpiperidin-4-yl)-1-[4-(morpholine-4-carbonyl)anilino]-7H-imidazo[1,5-a]pyrazin-8-one?
The canonical SMILES for 3-(1-acetylpiperidin-4-yl)-1-[4-(morpholine-4-carbonyl)anilino]-7H-imidazo[1,5-a]pyrazin-8-one is CC(=O)N1CCC(c2nc(Nc3ccc(C(=O)N4CCOCC4)cc3)c3c(=O)[nH]ccn23)CC1.
What is the InChIKey of 3-(1-acetylpiperidin-4-yl)-1-[4-(morpholine-4-carbonyl)anilino]-7H-imidazo[1,5-a]pyrazin-8-one?
The InChIKey is IXDBSISXQMZQSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N6O4/c1-16(31)28-9-6-17(7-10-28)22-27-21(20-23(32)25-8-11-30(20)22)26-19-4-2-18(3-5-19)24(33)29-12-14-34-15-13-29/h2-5,8,11,17,26H,6-7,9-10,12-15H2,1H3,(H,25,32).
What are the key properties of 3-(1-acetylpiperidin-4-yl)-1-[4-(morpholine-4-carbonyl)anilino]-7H-imidazo[1,5-a]pyrazin-8-one?
3-(1-acetylpiperidin-4-yl)-1-[4-(morpholine-4-carbonyl)anilino]-7H-imidazo[1,5-a]pyrazin-8-one has a molecular weight of 464.53 g/mol, XLogP of 1.96, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-acetylpiperidin-4-yl)-1-[4-(morpholine-4-carbonyl)anilino]-7H-imidazo[1,5-a]pyrazin-8-one is sourced from PubChem (CID 164523220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).