5-[(6-chloro-3-pyridinyl)methyl]-2-(4-methoxyphenyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one

C19H17ClN4O2 — CID 44589392

IUPAC5-[(6-chloro-3-pyridinyl)methyl]-2-(4-methoxyphenyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one
SMILESCOc1ccc(-c2cc3n(n2)CCN(Cc2ccc(Cl)nc2)C3=O)cc1
InChIInChI=1S/C19H17ClN4O2/c1-26-15-5-3-14(4-6-15)16-10-17-19(25)23(8-9-24(17)22-16)12-13-2-7-18(20)21-11-13/h2-7,10-11H,8-9,12H2,1H3
InChIKeyVGVPMZNTYVNBRZ-UHFFFAOYSA-N
MW368.82 g/mol
LogP3.26
Rot. Bonds4

About 5-[(6-chloro-3-pyridinyl)methyl]-2-(4-methoxyphenyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one

5-[(6-chloro-3-pyridinyl)methyl]-2-(4-methoxyphenyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one (PubChem CID 44589392) has the molecular formula C19H17ClN4O2 and a molecular weight of 368.82 g/mol. Its IUPAC name is 5-[(6-chloro-3-pyridinyl)methyl]-2-(4-methoxyphenyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one.

Molecular Properties

Compound Name5-[(6-chloro-3-pyridinyl)methyl]-2-(4-methoxyphenyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one
PubChem CID44589392
Molecular FormulaC19H17ClN4O2
Molecular Weight368.82 g/mol
Exact Mass368.10
IUPAC Name5-[(6-chloro-3-pyridinyl)methyl]-2-(4-methoxyphenyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one
SMILESCOc1ccc(-c2cc3n(n2)CCN(Cc2ccc(Cl)nc2)C3=O)cc1
InChIInChI=1S/C19H17ClN4O2/c1-26-15-5-3-14(4-6-15)16-10-17-19(25)23(8-9-24(17)22-16)12-13-2-7-18(20)21-11-13/h2-7,10-11H,8-9,12H2,1H3
InChIKeyVGVPMZNTYVNBRZ-UHFFFAOYSA-N
XLogP3.26
TPSA60.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.82
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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-[(6-chloro-3-pyridinyl)methyl]-2-(4-methoxyphenyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one?
The IUPAC name of 5-[(6-chloro-3-pyridinyl)methyl]-2-(4-methoxyphenyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one (CID 44589392) is 5-[(6-chloro-3-pyridinyl)methyl]-2-(4-methoxyphenyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one.
What is the SMILES notation for 5-[(6-chloro-3-pyridinyl)methyl]-2-(4-methoxyphenyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one?
The canonical SMILES for 5-[(6-chloro-3-pyridinyl)methyl]-2-(4-methoxyphenyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one is COc1ccc(-c2cc3n(n2)CCN(Cc2ccc(Cl)nc2)C3=O)cc1.
What is the InChIKey of 5-[(6-chloro-3-pyridinyl)methyl]-2-(4-methoxyphenyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one?
The InChIKey is VGVPMZNTYVNBRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClN4O2/c1-26-15-5-3-14(4-6-15)16-10-17-19(25)23(8-9-24(17)22-16)12-13-2-7-18(20)21-11-13/h2-7,10-11H,8-9,12H2,1H3.
What are the key properties of 5-[(6-chloro-3-pyridinyl)methyl]-2-(4-methoxyphenyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one?
5-[(6-chloro-3-pyridinyl)methyl]-2-(4-methoxyphenyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one has a molecular weight of 368.82 g/mol, XLogP of 3.26, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(6-chloro-3-pyridinyl)methyl]-2-(4-methoxyphenyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one is sourced from PubChem (CID 44589392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).