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

C17H12ClN5O — CID 70925370

IUPAC2-amino-5-(4-chlorophenyl)-3-pyridin-2-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESNc1[nH]n2c(=O)cc(-c3ccc(Cl)cc3)nc2c1-c1ccccn1
InChIInChI=1S/C17H12ClN5O/c18-11-6-4-10(5-7-11)13-9-14(24)23-17(21-13)15(16(19)22-23)12-3-1-2-8-20-12/h1-9,22H,19H2
InChIKeyXXXKMVKWKCOFIB-UHFFFAOYSA-N
MW337.77 g/mol
LogP2.99
Rot. Bonds2

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

2-amino-5-(4-chlorophenyl)-3-pyridin-2-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one (PubChem CID 70925370) has the molecular formula C17H12ClN5O and a molecular weight of 337.77 g/mol. Its IUPAC name is 2-amino-5-(4-chlorophenyl)-3-pyridin-2-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one.

Molecular Properties

Compound Name2-amino-5-(4-chlorophenyl)-3-pyridin-2-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one
PubChem CID70925370
Molecular FormulaC17H12ClN5O
Molecular Weight337.77 g/mol
Exact Mass337.07
IUPAC Name2-amino-5-(4-chlorophenyl)-3-pyridin-2-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESNc1[nH]n2c(=O)cc(-c3ccc(Cl)cc3)nc2c1-c1ccccn1
InChIInChI=1S/C17H12ClN5O/c18-11-6-4-10(5-7-11)13-9-14(24)23-17(21-13)15(16(19)22-23)12-3-1-2-8-20-12/h1-9,22H,19H2
InChIKeyXXXKMVKWKCOFIB-UHFFFAOYSA-N
XLogP2.99
TPSA89.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.77
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-amino-5-(4-chlorophenyl)-3-pyridin-2-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The IUPAC name of 2-amino-5-(4-chlorophenyl)-3-pyridin-2-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one (CID 70925370) is 2-amino-5-(4-chlorophenyl)-3-pyridin-2-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one.
What is the SMILES notation for 2-amino-5-(4-chlorophenyl)-3-pyridin-2-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The canonical SMILES for 2-amino-5-(4-chlorophenyl)-3-pyridin-2-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one is Nc1[nH]n2c(=O)cc(-c3ccc(Cl)cc3)nc2c1-c1ccccn1.
What is the InChIKey of 2-amino-5-(4-chlorophenyl)-3-pyridin-2-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The InChIKey is XXXKMVKWKCOFIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12ClN5O/c18-11-6-4-10(5-7-11)13-9-14(24)23-17(21-13)15(16(19)22-23)12-3-1-2-8-20-12/h1-9,22H,19H2.
What are the key properties of 2-amino-5-(4-chlorophenyl)-3-pyridin-2-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
2-amino-5-(4-chlorophenyl)-3-pyridin-2-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one has a molecular weight of 337.77 g/mol, XLogP of 2.99, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-(4-chlorophenyl)-3-pyridin-2-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one is sourced from PubChem (CID 70925370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).