2-amino-N-[1-(4-chloro-7-phenyl-1H-indazol-6-yl)ethyl]-4,5-dihydropyrazolo[1,5-a]pyrimidine-3-carboxamide

C22H20ClN7O — CID 137213258

IUPAC2-amino-N-[1-(4-chloro-7-phenyl-1H-indazol-6-yl)ethyl]-4,5-dihydropyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCC(NC(=O)c1c(N)nn2c1NCC=C2)c1cc(Cl)c2cn[nH]c2c1-c1ccccc1
InChIInChI=1S/C22H20ClN7O/c1-12(27-22(31)18-20(24)29-30-9-5-8-25-21(18)30)14-10-16(23)15-11-26-28-19(15)17(14)13-6-3-2-4-7-13/h2-7,9-12,25H,8H2,1H3,(H2,24,29)(H,26,28)(H,27,31)
InChIKeyFPKQOSCHTRBNAJ-UHFFFAOYSA-N
MW433.90 g/mol
LogP4.05
Rot. Bonds4

About 2-amino-N-[1-(4-chloro-7-phenyl-1H-indazol-6-yl)ethyl]-4,5-dihydropyrazolo[1,5-a]pyrimidine-3-carboxamide

2-amino-N-[1-(4-chloro-7-phenyl-1H-indazol-6-yl)ethyl]-4,5-dihydropyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 137213258) has the molecular formula C22H20ClN7O and a molecular weight of 433.90 g/mol. Its IUPAC name is 2-amino-N-[1-(4-chloro-7-phenyl-1H-indazol-6-yl)ethyl]-4,5-dihydropyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound Name2-amino-N-[1-(4-chloro-7-phenyl-1H-indazol-6-yl)ethyl]-4,5-dihydropyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID137213258
Molecular FormulaC22H20ClN7O
Molecular Weight433.90 g/mol
Exact Mass433.14
IUPAC Name2-amino-N-[1-(4-chloro-7-phenyl-1H-indazol-6-yl)ethyl]-4,5-dihydropyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCC(NC(=O)c1c(N)nn2c1NCC=C2)c1cc(Cl)c2cn[nH]c2c1-c1ccccc1
InChIInChI=1S/C22H20ClN7O/c1-12(27-22(31)18-20(24)29-30-9-5-8-25-21(18)30)14-10-16(23)15-11-26-28-19(15)17(14)13-6-3-2-4-7-13/h2-7,9-12,25H,8H2,1H3,(H2,24,29)(H,26,28)(H,27,31)
InChIKeyFPKQOSCHTRBNAJ-UHFFFAOYSA-N
XLogP4.05
TPSA113.65 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.90
LogP ≤ 54.05
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Analyze 2-amino-N-[1-(4-chloro-7-phenyl-1H-indazol-6-yl)ethyl]-4,5-dihydropyrazolo[1,5-a]pyrimidine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[1-(4-chloro-7-phenyl-1H-indazol-6-yl)ethyl]-4,5-dihydropyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of 2-amino-N-[1-(4-chloro-7-phenyl-1H-indazol-6-yl)ethyl]-4,5-dihydropyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 137213258) is 2-amino-N-[1-(4-chloro-7-phenyl-1H-indazol-6-yl)ethyl]-4,5-dihydropyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for 2-amino-N-[1-(4-chloro-7-phenyl-1H-indazol-6-yl)ethyl]-4,5-dihydropyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for 2-amino-N-[1-(4-chloro-7-phenyl-1H-indazol-6-yl)ethyl]-4,5-dihydropyrazolo[1,5-a]pyrimidine-3-carboxamide is CC(NC(=O)c1c(N)nn2c1NCC=C2)c1cc(Cl)c2cn[nH]c2c1-c1ccccc1.
What is the InChIKey of 2-amino-N-[1-(4-chloro-7-phenyl-1H-indazol-6-yl)ethyl]-4,5-dihydropyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is FPKQOSCHTRBNAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20ClN7O/c1-12(27-22(31)18-20(24)29-30-9-5-8-25-21(18)30)14-10-16(23)15-11-26-28-19(15)17(14)13-6-3-2-4-7-13/h2-7,9-12,25H,8H2,1H3,(H2,24,29)(H,26,28)(H,27,31).
What are the key properties of 2-amino-N-[1-(4-chloro-7-phenyl-1H-indazol-6-yl)ethyl]-4,5-dihydropyrazolo[1,5-a]pyrimidine-3-carboxamide?
2-amino-N-[1-(4-chloro-7-phenyl-1H-indazol-6-yl)ethyl]-4,5-dihydropyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 433.90 g/mol, XLogP of 4.05, 4 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[1-(4-chloro-7-phenyl-1H-indazol-6-yl)ethyl]-4,5-dihydropyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 137213258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).