5-chloro-4-(6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl)-2-(2-fluoro-4-pyridinyl)-1H-pyrimidin-6-one

C15H12ClFN6O — CID 137291645

IUPAC5-chloro-4-(6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl)-2-(2-fluoro-4-pyridinyl)-1H-pyrimidin-6-one
SMILESO=c1[nH]c(-c2ccnc(F)c2)nc(N2CCn3cncc3C2)c1Cl
InChIInChI=1S/C15H12ClFN6O/c16-12-14(22-3-4-23-8-18-6-10(23)7-22)20-13(21-15(12)24)9-1-2-19-11(17)5-9/h1-2,5-6,8H,3-4,7H2,(H,20,21,24)
InChIKeyPBLLWWPJNJRVNI-UHFFFAOYSA-N
MW346.75 g/mol
LogP1.84
Rot. Bonds2

About 5-chloro-4-(6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl)-2-(2-fluoro-4-pyridinyl)-1H-pyrimidin-6-one

5-chloro-4-(6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl)-2-(2-fluoro-4-pyridinyl)-1H-pyrimidin-6-one (PubChem CID 137291645) has the molecular formula C15H12ClFN6O and a molecular weight of 346.75 g/mol. Its IUPAC name is 5-chloro-4-(6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl)-2-(2-fluoro-4-pyridinyl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-chloro-4-(6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl)-2-(2-fluoro-4-pyridinyl)-1H-pyrimidin-6-one
PubChem CID137291645
Molecular FormulaC15H12ClFN6O
Molecular Weight346.75 g/mol
Exact Mass346.07
IUPAC Name5-chloro-4-(6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl)-2-(2-fluoro-4-pyridinyl)-1H-pyrimidin-6-one
SMILESO=c1[nH]c(-c2ccnc(F)c2)nc(N2CCn3cncc3C2)c1Cl
InChIInChI=1S/C15H12ClFN6O/c16-12-14(22-3-4-23-8-18-6-10(23)7-22)20-13(21-15(12)24)9-1-2-19-11(17)5-9/h1-2,5-6,8H,3-4,7H2,(H,20,21,24)
InChIKeyPBLLWWPJNJRVNI-UHFFFAOYSA-N
XLogP1.84
TPSA79.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.75
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-(6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl)-2-(2-fluoro-4-pyridinyl)-1H-pyrimidin-6-one?
The IUPAC name of 5-chloro-4-(6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl)-2-(2-fluoro-4-pyridinyl)-1H-pyrimidin-6-one (CID 137291645) is 5-chloro-4-(6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl)-2-(2-fluoro-4-pyridinyl)-1H-pyrimidin-6-one.
What is the SMILES notation for 5-chloro-4-(6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl)-2-(2-fluoro-4-pyridinyl)-1H-pyrimidin-6-one?
The canonical SMILES for 5-chloro-4-(6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl)-2-(2-fluoro-4-pyridinyl)-1H-pyrimidin-6-one is O=c1[nH]c(-c2ccnc(F)c2)nc(N2CCn3cncc3C2)c1Cl.
What is the InChIKey of 5-chloro-4-(6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl)-2-(2-fluoro-4-pyridinyl)-1H-pyrimidin-6-one?
The InChIKey is PBLLWWPJNJRVNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClFN6O/c16-12-14(22-3-4-23-8-18-6-10(23)7-22)20-13(21-15(12)24)9-1-2-19-11(17)5-9/h1-2,5-6,8H,3-4,7H2,(H,20,21,24).
What are the key properties of 5-chloro-4-(6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl)-2-(2-fluoro-4-pyridinyl)-1H-pyrimidin-6-one?
5-chloro-4-(6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl)-2-(2-fluoro-4-pyridinyl)-1H-pyrimidin-6-one has a molecular weight of 346.75 g/mol, XLogP of 1.84, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-(6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl)-2-(2-fluoro-4-pyridinyl)-1H-pyrimidin-6-one is sourced from PubChem (CID 137291645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).