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

C22H26N6O3 — CID 164523217

IUPAC1-[4-(morpholine-4-carbonyl)anilino]-3-piperidin-4-yl-7H-imidazo[1,5-a]pyrazin-8-one
SMILESO=C(c1ccc(Nc2nc(C3CCNCC3)n3cc[nH]c(=O)c23)cc1)N1CCOCC1
InChIInChI=1S/C22H26N6O3/c29-21-18-19(26-20(28(18)10-9-24-21)15-5-7-23-8-6-15)25-17-3-1-16(2-4-17)22(30)27-11-13-31-14-12-27/h1-4,9-10,15,23,25H,5-8,11-14H2,(H,24,29)
InChIKeyWBOLDIYMTHGMJW-UHFFFAOYSA-N
MW422.49 g/mol
LogP1.71
Rot. Bonds4

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

1-[4-(morpholine-4-carbonyl)anilino]-3-piperidin-4-yl-7H-imidazo[1,5-a]pyrazin-8-one (PubChem CID 164523217) has the molecular formula C22H26N6O3 and a molecular weight of 422.49 g/mol. Its IUPAC name is 1-[4-(morpholine-4-carbonyl)anilino]-3-piperidin-4-yl-7H-imidazo[1,5-a]pyrazin-8-one.

Molecular Properties

Compound Name1-[4-(morpholine-4-carbonyl)anilino]-3-piperidin-4-yl-7H-imidazo[1,5-a]pyrazin-8-one
PubChem CID164523217
Molecular FormulaC22H26N6O3
Molecular Weight422.49 g/mol
Exact Mass422.21
IUPAC Name1-[4-(morpholine-4-carbonyl)anilino]-3-piperidin-4-yl-7H-imidazo[1,5-a]pyrazin-8-one
SMILESO=C(c1ccc(Nc2nc(C3CCNCC3)n3cc[nH]c(=O)c23)cc1)N1CCOCC1
InChIInChI=1S/C22H26N6O3/c29-21-18-19(26-20(28(18)10-9-24-21)15-5-7-23-8-6-15)25-17-3-1-16(2-4-17)22(30)27-11-13-31-14-12-27/h1-4,9-10,15,23,25H,5-8,11-14H2,(H,24,29)
InChIKeyWBOLDIYMTHGMJW-UHFFFAOYSA-N
XLogP1.71
TPSA103.76 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.49
LogP ≤ 51.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(morpholine-4-carbonyl)anilino]-3-piperidin-4-yl-7H-imidazo[1,5-a]pyrazin-8-one?
The IUPAC name of 1-[4-(morpholine-4-carbonyl)anilino]-3-piperidin-4-yl-7H-imidazo[1,5-a]pyrazin-8-one (CID 164523217) is 1-[4-(morpholine-4-carbonyl)anilino]-3-piperidin-4-yl-7H-imidazo[1,5-a]pyrazin-8-one.
What is the SMILES notation for 1-[4-(morpholine-4-carbonyl)anilino]-3-piperidin-4-yl-7H-imidazo[1,5-a]pyrazin-8-one?
The canonical SMILES for 1-[4-(morpholine-4-carbonyl)anilino]-3-piperidin-4-yl-7H-imidazo[1,5-a]pyrazin-8-one is O=C(c1ccc(Nc2nc(C3CCNCC3)n3cc[nH]c(=O)c23)cc1)N1CCOCC1.
What is the InChIKey of 1-[4-(morpholine-4-carbonyl)anilino]-3-piperidin-4-yl-7H-imidazo[1,5-a]pyrazin-8-one?
The InChIKey is WBOLDIYMTHGMJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N6O3/c29-21-18-19(26-20(28(18)10-9-24-21)15-5-7-23-8-6-15)25-17-3-1-16(2-4-17)22(30)27-11-13-31-14-12-27/h1-4,9-10,15,23,25H,5-8,11-14H2,(H,24,29).
What are the key properties of 1-[4-(morpholine-4-carbonyl)anilino]-3-piperidin-4-yl-7H-imidazo[1,5-a]pyrazin-8-one?
1-[4-(morpholine-4-carbonyl)anilino]-3-piperidin-4-yl-7H-imidazo[1,5-a]pyrazin-8-one has a molecular weight of 422.49 g/mol, XLogP of 1.71, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(morpholine-4-carbonyl)anilino]-3-piperidin-4-yl-7H-imidazo[1,5-a]pyrazin-8-one is sourced from PubChem (CID 164523217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).