(7R)-7-amino-5-(5-chlorothiophen-2-yl)-3-imidazo[1,2-a]pyridin-6-yl-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one

C17H13ClN6OS — CID 155260593

IUPAC(7R)-7-amino-5-(5-chlorothiophen-2-yl)-3-imidazo[1,2-a]pyridin-6-yl-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one
SMILESN[C@H]1CN(c2ccc(Cl)s2)C(=O)c2c(-c3ccc4nccn4c3)cnn21
InChIInChI=1S/C17H13ClN6OS/c18-12-2-4-15(26-12)23-9-13(19)24-16(17(23)25)11(7-21-24)10-1-3-14-20-5-6-22(14)8-10/h1-8,13H,9,19H2/t13-/m1/s1
InChIKeyJCOPKXOSTWAXEP-CYBMUJFWSA-N
MW384.85 g/mol
LogP3.03
Rot. Bonds2

About (7R)-7-amino-5-(5-chlorothiophen-2-yl)-3-imidazo[1,2-a]pyridin-6-yl-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one

(7R)-7-amino-5-(5-chlorothiophen-2-yl)-3-imidazo[1,2-a]pyridin-6-yl-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one (PubChem CID 155260593) has the molecular formula C17H13ClN6OS and a molecular weight of 384.85 g/mol. Its IUPAC name is (7R)-7-amino-5-(5-chlorothiophen-2-yl)-3-imidazo[1,2-a]pyridin-6-yl-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one.

Molecular Properties

Compound Name(7R)-7-amino-5-(5-chlorothiophen-2-yl)-3-imidazo[1,2-a]pyridin-6-yl-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one
PubChem CID155260593
Molecular FormulaC17H13ClN6OS
Molecular Weight384.85 g/mol
Exact Mass384.06
IUPAC Name(7R)-7-amino-5-(5-chlorothiophen-2-yl)-3-imidazo[1,2-a]pyridin-6-yl-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one
SMILESN[C@H]1CN(c2ccc(Cl)s2)C(=O)c2c(-c3ccc4nccn4c3)cnn21
InChIInChI=1S/C17H13ClN6OS/c18-12-2-4-15(26-12)23-9-13(19)24-16(17(23)25)11(7-21-24)10-1-3-14-20-5-6-22(14)8-10/h1-8,13H,9,19H2/t13-/m1/s1
InChIKeyJCOPKXOSTWAXEP-CYBMUJFWSA-N
XLogP3.03
TPSA81.45 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.85
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze (7R)-7-amino-5-(5-chlorothiophen-2-yl)-3-imidazo[1,2-a]pyridin-6-yl-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of (7R)-7-amino-5-(5-chlorothiophen-2-yl)-3-imidazo[1,2-a]pyridin-6-yl-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one?
The IUPAC name of (7R)-7-amino-5-(5-chlorothiophen-2-yl)-3-imidazo[1,2-a]pyridin-6-yl-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one (CID 155260593) is (7R)-7-amino-5-(5-chlorothiophen-2-yl)-3-imidazo[1,2-a]pyridin-6-yl-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one.
What is the SMILES notation for (7R)-7-amino-5-(5-chlorothiophen-2-yl)-3-imidazo[1,2-a]pyridin-6-yl-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one?
The canonical SMILES for (7R)-7-amino-5-(5-chlorothiophen-2-yl)-3-imidazo[1,2-a]pyridin-6-yl-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one is N[C@H]1CN(c2ccc(Cl)s2)C(=O)c2c(-c3ccc4nccn4c3)cnn21.
What is the InChIKey of (7R)-7-amino-5-(5-chlorothiophen-2-yl)-3-imidazo[1,2-a]pyridin-6-yl-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one?
The InChIKey is JCOPKXOSTWAXEP-CYBMUJFWSA-N. The full InChI is InChI=1S/C17H13ClN6OS/c18-12-2-4-15(26-12)23-9-13(19)24-16(17(23)25)11(7-21-24)10-1-3-14-20-5-6-22(14)8-10/h1-8,13H,9,19H2/t13-/m1/s1.
What are the key properties of (7R)-7-amino-5-(5-chlorothiophen-2-yl)-3-imidazo[1,2-a]pyridin-6-yl-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one?
(7R)-7-amino-5-(5-chlorothiophen-2-yl)-3-imidazo[1,2-a]pyridin-6-yl-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one has a molecular weight of 384.85 g/mol, XLogP of 3.03, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (7R)-7-amino-5-(5-chlorothiophen-2-yl)-3-imidazo[1,2-a]pyridin-6-yl-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one is sourced from PubChem (CID 155260593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).