5,7-dimethyl-N-(1-methyl-4-propan-2-yloxyindazol-3-yl)-[1,2,4]triazolo[4,3-a]pyrimidine-3-carboxamide

C19H21N7O2 — CID 70748915

IUPAC5,7-dimethyl-N-(1-methyl-4-propan-2-yloxyindazol-3-yl)-[1,2,4]triazolo[4,3-a]pyrimidine-3-carboxamide
SMILESCc1cc(C)n2c(C(=O)Nc3nn(C)c4cccc(OC(C)C)c34)nnc2n1
InChIInChI=1S/C19H21N7O2/c1-10(2)28-14-8-6-7-13-15(14)16(24-25(13)5)21-18(27)17-22-23-19-20-11(3)9-12(4)26(17)19/h6-10H,1-5H3,(H,21,24,27)
InChIKeyCGGPLAJANIGARJ-UHFFFAOYSA-N
MW379.42 g/mol
LogP2.67
Rot. Bonds4

About 5,7-dimethyl-N-(1-methyl-4-propan-2-yloxyindazol-3-yl)-[1,2,4]triazolo[4,3-a]pyrimidine-3-carboxamide

5,7-dimethyl-N-(1-methyl-4-propan-2-yloxyindazol-3-yl)-[1,2,4]triazolo[4,3-a]pyrimidine-3-carboxamide (PubChem CID 70748915) has the molecular formula C19H21N7O2 and a molecular weight of 379.42 g/mol. Its IUPAC name is 5,7-dimethyl-N-(1-methyl-4-propan-2-yloxyindazol-3-yl)-[1,2,4]triazolo[4,3-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound Name5,7-dimethyl-N-(1-methyl-4-propan-2-yloxyindazol-3-yl)-[1,2,4]triazolo[4,3-a]pyrimidine-3-carboxamide
PubChem CID70748915
Molecular FormulaC19H21N7O2
Molecular Weight379.42 g/mol
Exact Mass379.18
IUPAC Name5,7-dimethyl-N-(1-methyl-4-propan-2-yloxyindazol-3-yl)-[1,2,4]triazolo[4,3-a]pyrimidine-3-carboxamide
SMILESCc1cc(C)n2c(C(=O)Nc3nn(C)c4cccc(OC(C)C)c34)nnc2n1
InChIInChI=1S/C19H21N7O2/c1-10(2)28-14-8-6-7-13-15(14)16(24-25(13)5)21-18(27)17-22-23-19-20-11(3)9-12(4)26(17)19/h6-10H,1-5H3,(H,21,24,27)
InChIKeyCGGPLAJANIGARJ-UHFFFAOYSA-N
XLogP2.67
TPSA99.23 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.42
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 5,7-dimethyl-N-(1-methyl-4-propan-2-yloxyindazol-3-yl)-[1,2,4]triazolo[4,3-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 5,7-dimethyl-N-(1-methyl-4-propan-2-yloxyindazol-3-yl)-[1,2,4]triazolo[4,3-a]pyrimidine-3-carboxamide?
The IUPAC name of 5,7-dimethyl-N-(1-methyl-4-propan-2-yloxyindazol-3-yl)-[1,2,4]triazolo[4,3-a]pyrimidine-3-carboxamide (CID 70748915) is 5,7-dimethyl-N-(1-methyl-4-propan-2-yloxyindazol-3-yl)-[1,2,4]triazolo[4,3-a]pyrimidine-3-carboxamide.
What is the SMILES notation for 5,7-dimethyl-N-(1-methyl-4-propan-2-yloxyindazol-3-yl)-[1,2,4]triazolo[4,3-a]pyrimidine-3-carboxamide?
The canonical SMILES for 5,7-dimethyl-N-(1-methyl-4-propan-2-yloxyindazol-3-yl)-[1,2,4]triazolo[4,3-a]pyrimidine-3-carboxamide is Cc1cc(C)n2c(C(=O)Nc3nn(C)c4cccc(OC(C)C)c34)nnc2n1.
What is the InChIKey of 5,7-dimethyl-N-(1-methyl-4-propan-2-yloxyindazol-3-yl)-[1,2,4]triazolo[4,3-a]pyrimidine-3-carboxamide?
The InChIKey is CGGPLAJANIGARJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N7O2/c1-10(2)28-14-8-6-7-13-15(14)16(24-25(13)5)21-18(27)17-22-23-19-20-11(3)9-12(4)26(17)19/h6-10H,1-5H3,(H,21,24,27).
What are the key properties of 5,7-dimethyl-N-(1-methyl-4-propan-2-yloxyindazol-3-yl)-[1,2,4]triazolo[4,3-a]pyrimidine-3-carboxamide?
5,7-dimethyl-N-(1-methyl-4-propan-2-yloxyindazol-3-yl)-[1,2,4]triazolo[4,3-a]pyrimidine-3-carboxamide has a molecular weight of 379.42 g/mol, XLogP of 2.67, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-dimethyl-N-(1-methyl-4-propan-2-yloxyindazol-3-yl)-[1,2,4]triazolo[4,3-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 70748915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).