N-[4-(7-acetyl-1-hydroxy-3-oxo-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-2-yl)-3-chlorophenyl]pyridine-2-carboxamide

C20H18ClN5O4 — CID 123199220

IUPACN-[4-(7-acetyl-1-hydroxy-3-oxo-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-2-yl)-3-chlorophenyl]pyridine-2-carboxamide
SMILESCC(=O)N1CCn2c(c(O)n(-c3ccc(NC(=O)c4ccccn4)cc3Cl)c2=O)C1
InChIInChI=1S/C20H18ClN5O4/c1-12(27)24-8-9-25-17(11-24)19(29)26(20(25)30)16-6-5-13(10-14(16)21)23-18(28)15-4-2-3-7-22-15/h2-7,10,29H,8-9,11H2,1H3,(H,23,28)
InChIKeyBUHKQNKMTCEDGH-UHFFFAOYSA-N
MW427.85 g/mol
LogP2.01
Rot. Bonds3

About N-[4-(7-acetyl-1-hydroxy-3-oxo-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-2-yl)-3-chlorophenyl]pyridine-2-carboxamide

N-[4-(7-acetyl-1-hydroxy-3-oxo-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-2-yl)-3-chlorophenyl]pyridine-2-carboxamide (PubChem CID 123199220) has the molecular formula C20H18ClN5O4 and a molecular weight of 427.85 g/mol. Its IUPAC name is N-[4-(7-acetyl-1-hydroxy-3-oxo-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-2-yl)-3-chlorophenyl]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[4-(7-acetyl-1-hydroxy-3-oxo-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-2-yl)-3-chlorophenyl]pyridine-2-carboxamide
PubChem CID123199220
Molecular FormulaC20H18ClN5O4
Molecular Weight427.85 g/mol
Exact Mass427.10
IUPAC NameN-[4-(7-acetyl-1-hydroxy-3-oxo-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-2-yl)-3-chlorophenyl]pyridine-2-carboxamide
SMILESCC(=O)N1CCn2c(c(O)n(-c3ccc(NC(=O)c4ccccn4)cc3Cl)c2=O)C1
InChIInChI=1S/C20H18ClN5O4/c1-12(27)24-8-9-25-17(11-24)19(29)26(20(25)30)16-6-5-13(10-14(16)21)23-18(28)15-4-2-3-7-22-15/h2-7,10,29H,8-9,11H2,1H3,(H,23,28)
InChIKeyBUHKQNKMTCEDGH-UHFFFAOYSA-N
XLogP2.01
TPSA109.46 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.85
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[4-(7-acetyl-1-hydroxy-3-oxo-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-2-yl)-3-chlorophenyl]pyridine-2-carboxamide?
The IUPAC name of N-[4-(7-acetyl-1-hydroxy-3-oxo-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-2-yl)-3-chlorophenyl]pyridine-2-carboxamide (CID 123199220) is N-[4-(7-acetyl-1-hydroxy-3-oxo-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-2-yl)-3-chlorophenyl]pyridine-2-carboxamide.
What is the SMILES notation for N-[4-(7-acetyl-1-hydroxy-3-oxo-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-2-yl)-3-chlorophenyl]pyridine-2-carboxamide?
The canonical SMILES for N-[4-(7-acetyl-1-hydroxy-3-oxo-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-2-yl)-3-chlorophenyl]pyridine-2-carboxamide is CC(=O)N1CCn2c(c(O)n(-c3ccc(NC(=O)c4ccccn4)cc3Cl)c2=O)C1.
What is the InChIKey of N-[4-(7-acetyl-1-hydroxy-3-oxo-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-2-yl)-3-chlorophenyl]pyridine-2-carboxamide?
The InChIKey is BUHKQNKMTCEDGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18ClN5O4/c1-12(27)24-8-9-25-17(11-24)19(29)26(20(25)30)16-6-5-13(10-14(16)21)23-18(28)15-4-2-3-7-22-15/h2-7,10,29H,8-9,11H2,1H3,(H,23,28).
What are the key properties of N-[4-(7-acetyl-1-hydroxy-3-oxo-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-2-yl)-3-chlorophenyl]pyridine-2-carboxamide?
N-[4-(7-acetyl-1-hydroxy-3-oxo-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-2-yl)-3-chlorophenyl]pyridine-2-carboxamide has a molecular weight of 427.85 g/mol, XLogP of 2.01, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(7-acetyl-1-hydroxy-3-oxo-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-2-yl)-3-chlorophenyl]pyridine-2-carboxamide is sourced from PubChem (CID 123199220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).