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

C17H11Cl2N5O — CID 70925347

IUPAC2-amino-5-(3,4-dichlorophenyl)-3-pyridin-2-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESNc1[nH]n2c(=O)cc(-c3ccc(Cl)c(Cl)c3)nc2c1-c1ccccn1
InChIInChI=1S/C17H11Cl2N5O/c18-10-5-4-9(7-11(10)19)13-8-14(25)24-17(22-13)15(16(20)23-24)12-3-1-2-6-21-12/h1-8,23H,20H2
InChIKeyAMIQOCRSESKTBG-UHFFFAOYSA-N
MW372.22 g/mol
LogP3.64
Rot. Bonds2

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

2-amino-5-(3,4-dichlorophenyl)-3-pyridin-2-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one (PubChem CID 70925347) has the molecular formula C17H11Cl2N5O and a molecular weight of 372.22 g/mol. Its IUPAC name is 2-amino-5-(3,4-dichlorophenyl)-3-pyridin-2-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one.

Molecular Properties

Compound Name2-amino-5-(3,4-dichlorophenyl)-3-pyridin-2-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one
PubChem CID70925347
Molecular FormulaC17H11Cl2N5O
Molecular Weight372.22 g/mol
Exact Mass371.03
IUPAC Name2-amino-5-(3,4-dichlorophenyl)-3-pyridin-2-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESNc1[nH]n2c(=O)cc(-c3ccc(Cl)c(Cl)c3)nc2c1-c1ccccn1
InChIInChI=1S/C17H11Cl2N5O/c18-10-5-4-9(7-11(10)19)13-8-14(25)24-17(22-13)15(16(20)23-24)12-3-1-2-6-21-12/h1-8,23H,20H2
InChIKeyAMIQOCRSESKTBG-UHFFFAOYSA-N
XLogP3.64
TPSA89.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.22
LogP ≤ 53.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-amino-5-(3,4-dichlorophenyl)-3-pyridin-2-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The IUPAC name of 2-amino-5-(3,4-dichlorophenyl)-3-pyridin-2-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one (CID 70925347) is 2-amino-5-(3,4-dichlorophenyl)-3-pyridin-2-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one.
What is the SMILES notation for 2-amino-5-(3,4-dichlorophenyl)-3-pyridin-2-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The canonical SMILES for 2-amino-5-(3,4-dichlorophenyl)-3-pyridin-2-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one is Nc1[nH]n2c(=O)cc(-c3ccc(Cl)c(Cl)c3)nc2c1-c1ccccn1.
What is the InChIKey of 2-amino-5-(3,4-dichlorophenyl)-3-pyridin-2-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The InChIKey is AMIQOCRSESKTBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11Cl2N5O/c18-10-5-4-9(7-11(10)19)13-8-14(25)24-17(22-13)15(16(20)23-24)12-3-1-2-6-21-12/h1-8,23H,20H2.
What are the key properties of 2-amino-5-(3,4-dichlorophenyl)-3-pyridin-2-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
2-amino-5-(3,4-dichlorophenyl)-3-pyridin-2-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one has a molecular weight of 372.22 g/mol, XLogP of 3.64, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-(3,4-dichlorophenyl)-3-pyridin-2-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one is sourced from PubChem (CID 70925347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).