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

C20H16ClN5O — CID 142598716

IUPAC(7S)-5-(4-chlorophenyl)-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)cc2)C(=O)c2c(-c3ccc4nccn4c3)cnn21
InChIInChI=1S/C20H16ClN5O/c1-13-11-25(16-5-3-15(21)4-6-16)20(27)19-17(10-23-26(13)19)14-2-7-18-22-8-9-24(18)12-14/h2-10,12-13H,11H2,1H3/t13-/m0/s1
InChIKeyCVRYRVUZCUKEOR-ZDUSSCGKSA-N
MW377.84 g/mol
LogP4.07
Rot. Bonds2

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

(7S)-5-(4-chlorophenyl)-3-imidazo[1,2-a]pyridin-6-yl-7-methyl-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one (PubChem CID 142598716) has the molecular formula C20H16ClN5O and a molecular weight of 377.84 g/mol. Its IUPAC name is (7S)-5-(4-chlorophenyl)-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-chlorophenyl)-3-imidazo[1,2-a]pyridin-6-yl-7-methyl-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one
PubChem CID142598716
Molecular FormulaC20H16ClN5O
Molecular Weight377.84 g/mol
Exact Mass377.10
IUPAC Name(7S)-5-(4-chlorophenyl)-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)cc2)C(=O)c2c(-c3ccc4nccn4c3)cnn21
InChIInChI=1S/C20H16ClN5O/c1-13-11-25(16-5-3-15(21)4-6-16)20(27)19-17(10-23-26(13)19)14-2-7-18-22-8-9-24(18)12-14/h2-10,12-13H,11H2,1H3/t13-/m0/s1
InChIKeyCVRYRVUZCUKEOR-ZDUSSCGKSA-N
XLogP4.07
TPSA55.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.84
LogP ≤ 54.07
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-chlorophenyl)-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-chlorophenyl)-3-imidazo[1,2-a]pyridin-6-yl-7-methyl-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one (CID 142598716) is (7S)-5-(4-chlorophenyl)-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-chlorophenyl)-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-chlorophenyl)-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)cc2)C(=O)c2c(-c3ccc4nccn4c3)cnn21.
What is the InChIKey of (7S)-5-(4-chlorophenyl)-3-imidazo[1,2-a]pyridin-6-yl-7-methyl-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one?
The InChIKey is CVRYRVUZCUKEOR-ZDUSSCGKSA-N. The full InChI is InChI=1S/C20H16ClN5O/c1-13-11-25(16-5-3-15(21)4-6-16)20(27)19-17(10-23-26(13)19)14-2-7-18-22-8-9-24(18)12-14/h2-10,12-13H,11H2,1H3/t13-/m0/s1.
What are the key properties of (7S)-5-(4-chlorophenyl)-3-imidazo[1,2-a]pyridin-6-yl-7-methyl-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one?
(7S)-5-(4-chlorophenyl)-3-imidazo[1,2-a]pyridin-6-yl-7-methyl-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one has a molecular weight of 377.84 g/mol, XLogP of 4.07, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (7S)-5-(4-chlorophenyl)-3-imidazo[1,2-a]pyridin-6-yl-7-methyl-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one is sourced from PubChem (CID 142598716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).