2-amino-3-(4-chlorophenyl)-5-(1H-indazol-5-yl)-1H-pyrazolo[1,5-a]pyrimidin-7-one

C19H13ClN6O — CID 70925664

IUPAC2-amino-3-(4-chlorophenyl)-5-(1H-indazol-5-yl)-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESNc1[nH]n2c(=O)cc(-c3ccc4[nH]ncc4c3)nc2c1-c1ccc(Cl)cc1
InChIInChI=1S/C19H13ClN6O/c20-13-4-1-10(2-5-13)17-18(21)25-26-16(27)8-15(23-19(17)26)11-3-6-14-12(7-11)9-22-24-14/h1-9,25H,21H2,(H,22,24)
InChIKeyCAFAGAFWBBPHCF-UHFFFAOYSA-N
MW376.81 g/mol
LogP3.47
Rot. Bonds2

About 2-amino-3-(4-chlorophenyl)-5-(1H-indazol-5-yl)-1H-pyrazolo[1,5-a]pyrimidin-7-one

2-amino-3-(4-chlorophenyl)-5-(1H-indazol-5-yl)-1H-pyrazolo[1,5-a]pyrimidin-7-one (PubChem CID 70925664) has the molecular formula C19H13ClN6O and a molecular weight of 376.81 g/mol. Its IUPAC name is 2-amino-3-(4-chlorophenyl)-5-(1H-indazol-5-yl)-1H-pyrazolo[1,5-a]pyrimidin-7-one.

Molecular Properties

Compound Name2-amino-3-(4-chlorophenyl)-5-(1H-indazol-5-yl)-1H-pyrazolo[1,5-a]pyrimidin-7-one
PubChem CID70925664
Molecular FormulaC19H13ClN6O
Molecular Weight376.81 g/mol
Exact Mass376.08
IUPAC Name2-amino-3-(4-chlorophenyl)-5-(1H-indazol-5-yl)-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESNc1[nH]n2c(=O)cc(-c3ccc4[nH]ncc4c3)nc2c1-c1ccc(Cl)cc1
InChIInChI=1S/C19H13ClN6O/c20-13-4-1-10(2-5-13)17-18(21)25-26-16(27)8-15(23-19(17)26)11-3-6-14-12(7-11)9-22-24-14/h1-9,25H,21H2,(H,22,24)
InChIKeyCAFAGAFWBBPHCF-UHFFFAOYSA-N
XLogP3.47
TPSA104.86 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.81
LogP ≤ 53.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-amino-3-(4-chlorophenyl)-5-(1H-indazol-5-yl)-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The IUPAC name of 2-amino-3-(4-chlorophenyl)-5-(1H-indazol-5-yl)-1H-pyrazolo[1,5-a]pyrimidin-7-one (CID 70925664) is 2-amino-3-(4-chlorophenyl)-5-(1H-indazol-5-yl)-1H-pyrazolo[1,5-a]pyrimidin-7-one.
What is the SMILES notation for 2-amino-3-(4-chlorophenyl)-5-(1H-indazol-5-yl)-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The canonical SMILES for 2-amino-3-(4-chlorophenyl)-5-(1H-indazol-5-yl)-1H-pyrazolo[1,5-a]pyrimidin-7-one is Nc1[nH]n2c(=O)cc(-c3ccc4[nH]ncc4c3)nc2c1-c1ccc(Cl)cc1.
What is the InChIKey of 2-amino-3-(4-chlorophenyl)-5-(1H-indazol-5-yl)-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The InChIKey is CAFAGAFWBBPHCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13ClN6O/c20-13-4-1-10(2-5-13)17-18(21)25-26-16(27)8-15(23-19(17)26)11-3-6-14-12(7-11)9-22-24-14/h1-9,25H,21H2,(H,22,24).
What are the key properties of 2-amino-3-(4-chlorophenyl)-5-(1H-indazol-5-yl)-1H-pyrazolo[1,5-a]pyrimidin-7-one?
2-amino-3-(4-chlorophenyl)-5-(1H-indazol-5-yl)-1H-pyrazolo[1,5-a]pyrimidin-7-one has a molecular weight of 376.81 g/mol, XLogP of 3.47, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-(4-chlorophenyl)-5-(1H-indazol-5-yl)-1H-pyrazolo[1,5-a]pyrimidin-7-one is sourced from PubChem (CID 70925664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).