(7S)-5-(3,4-dichlorophenyl)-3-[2-(5-fluoro-3-pyridinyl)-2-oxoethyl]-7-methyl-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one

C20H15Cl2FN4O2 — CID 159368739

IUPAC(7S)-5-(3,4-dichlorophenyl)-3-[2-(5-fluoro-3-pyridinyl)-2-oxoethyl]-7-methyl-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one
SMILESC[C@H]1CN(c2ccc(Cl)c(Cl)c2)C(=O)c2c(CC(=O)c3cncc(F)c3)cnn21
InChIInChI=1S/C20H15Cl2FN4O2/c1-11-10-26(15-2-3-16(21)17(22)6-15)20(29)19-13(8-25-27(11)19)5-18(28)12-4-14(23)9-24-7-12/h2-4,6-9,11H,5,10H2,1H3/t11-/m0/s1
InChIKeyUYTWAPYQNCYUQN-NSHDSACASA-N
MW433.27 g/mol
LogP4.37
Rot. Bonds4

About (7S)-5-(3,4-dichlorophenyl)-3-[2-(5-fluoro-3-pyridinyl)-2-oxoethyl]-7-methyl-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one

(7S)-5-(3,4-dichlorophenyl)-3-[2-(5-fluoro-3-pyridinyl)-2-oxoethyl]-7-methyl-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one (PubChem CID 159368739) has the molecular formula C20H15Cl2FN4O2 and a molecular weight of 433.27 g/mol. Its IUPAC name is (7S)-5-(3,4-dichlorophenyl)-3-[2-(5-fluoro-3-pyridinyl)-2-oxoethyl]-7-methyl-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one.

Molecular Properties

Compound Name(7S)-5-(3,4-dichlorophenyl)-3-[2-(5-fluoro-3-pyridinyl)-2-oxoethyl]-7-methyl-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one
PubChem CID159368739
Molecular FormulaC20H15Cl2FN4O2
Molecular Weight433.27 g/mol
Exact Mass432.06
IUPAC Name(7S)-5-(3,4-dichlorophenyl)-3-[2-(5-fluoro-3-pyridinyl)-2-oxoethyl]-7-methyl-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one
SMILESC[C@H]1CN(c2ccc(Cl)c(Cl)c2)C(=O)c2c(CC(=O)c3cncc(F)c3)cnn21
InChIInChI=1S/C20H15Cl2FN4O2/c1-11-10-26(15-2-3-16(21)17(22)6-15)20(29)19-13(8-25-27(11)19)5-18(28)12-4-14(23)9-24-7-12/h2-4,6-9,11H,5,10H2,1H3/t11-/m0/s1
InChIKeyUYTWAPYQNCYUQN-NSHDSACASA-N
XLogP4.37
TPSA68.09 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.27
LogP ≤ 54.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (7S)-5-(3,4-dichlorophenyl)-3-[2-(5-fluoro-3-pyridinyl)-2-oxoethyl]-7-methyl-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one?
The IUPAC name of (7S)-5-(3,4-dichlorophenyl)-3-[2-(5-fluoro-3-pyridinyl)-2-oxoethyl]-7-methyl-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one (CID 159368739) is (7S)-5-(3,4-dichlorophenyl)-3-[2-(5-fluoro-3-pyridinyl)-2-oxoethyl]-7-methyl-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one.
What is the SMILES notation for (7S)-5-(3,4-dichlorophenyl)-3-[2-(5-fluoro-3-pyridinyl)-2-oxoethyl]-7-methyl-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one?
The canonical SMILES for (7S)-5-(3,4-dichlorophenyl)-3-[2-(5-fluoro-3-pyridinyl)-2-oxoethyl]-7-methyl-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one is C[C@H]1CN(c2ccc(Cl)c(Cl)c2)C(=O)c2c(CC(=O)c3cncc(F)c3)cnn21.
What is the InChIKey of (7S)-5-(3,4-dichlorophenyl)-3-[2-(5-fluoro-3-pyridinyl)-2-oxoethyl]-7-methyl-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one?
The InChIKey is UYTWAPYQNCYUQN-NSHDSACASA-N. The full InChI is InChI=1S/C20H15Cl2FN4O2/c1-11-10-26(15-2-3-16(21)17(22)6-15)20(29)19-13(8-25-27(11)19)5-18(28)12-4-14(23)9-24-7-12/h2-4,6-9,11H,5,10H2,1H3/t11-/m0/s1.
What are the key properties of (7S)-5-(3,4-dichlorophenyl)-3-[2-(5-fluoro-3-pyridinyl)-2-oxoethyl]-7-methyl-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one?
(7S)-5-(3,4-dichlorophenyl)-3-[2-(5-fluoro-3-pyridinyl)-2-oxoethyl]-7-methyl-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one has a molecular weight of 433.27 g/mol, XLogP of 4.37, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (7S)-5-(3,4-dichlorophenyl)-3-[2-(5-fluoro-3-pyridinyl)-2-oxoethyl]-7-methyl-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one is sourced from PubChem (CID 159368739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).