7-amino-5-[[6-methyl-2-(1-methylpyrazol-4-yl)-3-oxopyridazin-4-yl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide

C16H16N10O2 — CID 137449123

IUPAC7-amino-5-[[6-methyl-2-(1-methylpyrazol-4-yl)-3-oxopyridazin-4-yl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCc1cc(Nc2cc(N)n3ncc(C(N)=O)c3n2)c(=O)n(-c2cnn(C)c2)n1
InChIInChI=1S/C16H16N10O2/c1-8-3-11(16(28)25(23-8)9-5-19-24(2)7-9)21-13-4-12(17)26-15(22-13)10(6-20-26)14(18)27/h3-7H,17H2,1-2H3,(H2,18,27)(H,21,22)
InChIKeyXETNSCJYEPLJCR-UHFFFAOYSA-N
MW380.37 g/mol
LogP-0.26
Rot. Bonds4

About 7-amino-5-[[6-methyl-2-(1-methylpyrazol-4-yl)-3-oxopyridazin-4-yl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide

7-amino-5-[[6-methyl-2-(1-methylpyrazol-4-yl)-3-oxopyridazin-4-yl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 137449123) has the molecular formula C16H16N10O2 and a molecular weight of 380.37 g/mol. Its IUPAC name is 7-amino-5-[[6-methyl-2-(1-methylpyrazol-4-yl)-3-oxopyridazin-4-yl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound Name7-amino-5-[[6-methyl-2-(1-methylpyrazol-4-yl)-3-oxopyridazin-4-yl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID137449123
Molecular FormulaC16H16N10O2
Molecular Weight380.37 g/mol
Exact Mass380.15
IUPAC Name7-amino-5-[[6-methyl-2-(1-methylpyrazol-4-yl)-3-oxopyridazin-4-yl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCc1cc(Nc2cc(N)n3ncc(C(N)=O)c3n2)c(=O)n(-c2cnn(C)c2)n1
InChIInChI=1S/C16H16N10O2/c1-8-3-11(16(28)25(23-8)9-5-19-24(2)7-9)21-13-4-12(17)26-15(22-13)10(6-20-26)14(18)27/h3-7H,17H2,1-2H3,(H2,18,27)(H,21,22)
InChIKeyXETNSCJYEPLJCR-UHFFFAOYSA-N
XLogP-0.26
TPSA164.04 Ų
H-Bond Donors3
H-Bond Acceptors11
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500380.37
LogP ≤ 5-0.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1011

Analyze 7-amino-5-[[6-methyl-2-(1-methylpyrazol-4-yl)-3-oxopyridazin-4-yl]amino]pyrazolo[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 7-amino-5-[[6-methyl-2-(1-methylpyrazol-4-yl)-3-oxopyridazin-4-yl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of 7-amino-5-[[6-methyl-2-(1-methylpyrazol-4-yl)-3-oxopyridazin-4-yl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 137449123) is 7-amino-5-[[6-methyl-2-(1-methylpyrazol-4-yl)-3-oxopyridazin-4-yl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for 7-amino-5-[[6-methyl-2-(1-methylpyrazol-4-yl)-3-oxopyridazin-4-yl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for 7-amino-5-[[6-methyl-2-(1-methylpyrazol-4-yl)-3-oxopyridazin-4-yl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide is Cc1cc(Nc2cc(N)n3ncc(C(N)=O)c3n2)c(=O)n(-c2cnn(C)c2)n1.
What is the InChIKey of 7-amino-5-[[6-methyl-2-(1-methylpyrazol-4-yl)-3-oxopyridazin-4-yl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is XETNSCJYEPLJCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N10O2/c1-8-3-11(16(28)25(23-8)9-5-19-24(2)7-9)21-13-4-12(17)26-15(22-13)10(6-20-26)14(18)27/h3-7H,17H2,1-2H3,(H2,18,27)(H,21,22).
What are the key properties of 7-amino-5-[[6-methyl-2-(1-methylpyrazol-4-yl)-3-oxopyridazin-4-yl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
7-amino-5-[[6-methyl-2-(1-methylpyrazol-4-yl)-3-oxopyridazin-4-yl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 380.37 g/mol, XLogP of -0.26, 4 rotatable bonds, 3 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 7-amino-5-[[6-methyl-2-(1-methylpyrazol-4-yl)-3-oxopyridazin-4-yl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 137449123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).