(7S)-5-(4-chloro-3-fluorophenyl)-3-imidazo[1,2-a]pyridin-6-yl-7-methyl-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one

C20H15ClFN5O — CID 142598736

IUPAC(7S)-5-(4-chloro-3-fluorophenyl)-3-imidazo[1,2-a]pyridin-6-yl-7-methyl-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one
SMILESC[C@H]1CN(c2ccc(Cl)c(F)c2)C(=O)c2c(-c3ccc4nccn4c3)cnn21
InChIInChI=1S/C20H15ClFN5O/c1-12-10-26(14-3-4-16(21)17(22)8-14)20(28)19-15(9-24-27(12)19)13-2-5-18-23-6-7-25(18)11-13/h2-9,11-12H,10H2,1H3/t12-/m0/s1
InChIKeyRKZOXFAZIWFFQH-LBPRGKRZSA-N
MW395.83 g/mol
LogP4.21
Rot. Bonds2

About (7S)-5-(4-chloro-3-fluorophenyl)-3-imidazo[1,2-a]pyridin-6-yl-7-methyl-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one

(7S)-5-(4-chloro-3-fluorophenyl)-3-imidazo[1,2-a]pyridin-6-yl-7-methyl-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one (PubChem CID 142598736) has the molecular formula C20H15ClFN5O and a molecular weight of 395.83 g/mol. Its IUPAC name is (7S)-5-(4-chloro-3-fluorophenyl)-3-imidazo[1,2-a]pyridin-6-yl-7-methyl-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one.

Molecular Properties

Compound Name(7S)-5-(4-chloro-3-fluorophenyl)-3-imidazo[1,2-a]pyridin-6-yl-7-methyl-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one
PubChem CID142598736
Molecular FormulaC20H15ClFN5O
Molecular Weight395.83 g/mol
Exact Mass395.09
IUPAC Name(7S)-5-(4-chloro-3-fluorophenyl)-3-imidazo[1,2-a]pyridin-6-yl-7-methyl-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one
SMILESC[C@H]1CN(c2ccc(Cl)c(F)c2)C(=O)c2c(-c3ccc4nccn4c3)cnn21
InChIInChI=1S/C20H15ClFN5O/c1-12-10-26(14-3-4-16(21)17(22)8-14)20(28)19-15(9-24-27(12)19)13-2-5-18-23-6-7-25(18)11-13/h2-9,11-12H,10H2,1H3/t12-/m0/s1
InChIKeyRKZOXFAZIWFFQH-LBPRGKRZSA-N
XLogP4.21
TPSA55.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.83
LogP ≤ 54.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'dyes5A(27)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (7S)-5-(4-chloro-3-fluorophenyl)-3-imidazo[1,2-a]pyridin-6-yl-7-methyl-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one?
The IUPAC name of (7S)-5-(4-chloro-3-fluorophenyl)-3-imidazo[1,2-a]pyridin-6-yl-7-methyl-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one (CID 142598736) is (7S)-5-(4-chloro-3-fluorophenyl)-3-imidazo[1,2-a]pyridin-6-yl-7-methyl-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one.
What is the SMILES notation for (7S)-5-(4-chloro-3-fluorophenyl)-3-imidazo[1,2-a]pyridin-6-yl-7-methyl-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one?
The canonical SMILES for (7S)-5-(4-chloro-3-fluorophenyl)-3-imidazo[1,2-a]pyridin-6-yl-7-methyl-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one is C[C@H]1CN(c2ccc(Cl)c(F)c2)C(=O)c2c(-c3ccc4nccn4c3)cnn21.
What is the InChIKey of (7S)-5-(4-chloro-3-fluorophenyl)-3-imidazo[1,2-a]pyridin-6-yl-7-methyl-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one?
The InChIKey is RKZOXFAZIWFFQH-LBPRGKRZSA-N. The full InChI is InChI=1S/C20H15ClFN5O/c1-12-10-26(14-3-4-16(21)17(22)8-14)20(28)19-15(9-24-27(12)19)13-2-5-18-23-6-7-25(18)11-13/h2-9,11-12H,10H2,1H3/t12-/m0/s1.
What are the key properties of (7S)-5-(4-chloro-3-fluorophenyl)-3-imidazo[1,2-a]pyridin-6-yl-7-methyl-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one?
(7S)-5-(4-chloro-3-fluorophenyl)-3-imidazo[1,2-a]pyridin-6-yl-7-methyl-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one has a molecular weight of 395.83 g/mol, XLogP of 4.21, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (7S)-5-(4-chloro-3-fluorophenyl)-3-imidazo[1,2-a]pyridin-6-yl-7-methyl-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one is sourced from PubChem (CID 142598736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).