ethyl 1-methyl-5-[(2-propan-2-yl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)carbamoyl]pyrazole-4-carboxylate

C17H20N6O3 — CID 67775033

IUPACethyl 1-methyl-5-[(2-propan-2-yl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)carbamoyl]pyrazole-4-carboxylate
SMILESCCOC(=O)c1cnn(C)c1C(=O)Nc1ccn2nc(C(C)C)nc2c1
InChIInChI=1S/C17H20N6O3/c1-5-26-17(25)12-9-18-22(4)14(12)16(24)19-11-6-7-23-13(8-11)20-15(21-23)10(2)3/h6-10H,5H2,1-4H3,(H,19,24)
InChIKeyYDBSNFZQIVYUCQ-UHFFFAOYSA-N
MW356.39 g/mol
LogP2.02
Rot. Bonds5

About ethyl 1-methyl-5-[(2-propan-2-yl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)carbamoyl]pyrazole-4-carboxylate

ethyl 1-methyl-5-[(2-propan-2-yl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)carbamoyl]pyrazole-4-carboxylate (PubChem CID 67775033) has the molecular formula C17H20N6O3 and a molecular weight of 356.39 g/mol. Its IUPAC name is ethyl 1-methyl-5-[(2-propan-2-yl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)carbamoyl]pyrazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-methyl-5-[(2-propan-2-yl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)carbamoyl]pyrazole-4-carboxylate
PubChem CID67775033
Molecular FormulaC17H20N6O3
Molecular Weight356.39 g/mol
Exact Mass356.16
IUPAC Nameethyl 1-methyl-5-[(2-propan-2-yl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)carbamoyl]pyrazole-4-carboxylate
SMILESCCOC(=O)c1cnn(C)c1C(=O)Nc1ccn2nc(C(C)C)nc2c1
InChIInChI=1S/C17H20N6O3/c1-5-26-17(25)12-9-18-22(4)14(12)16(24)19-11-6-7-23-13(8-11)20-15(21-23)10(2)3/h6-10H,5H2,1-4H3,(H,19,24)
InChIKeyYDBSNFZQIVYUCQ-UHFFFAOYSA-N
XLogP2.02
TPSA103.41 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.39
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze ethyl 1-methyl-5-[(2-propan-2-yl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)carbamoyl]pyrazole-4-carboxylate 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 ethyl 1-methyl-5-[(2-propan-2-yl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)carbamoyl]pyrazole-4-carboxylate?
The IUPAC name of ethyl 1-methyl-5-[(2-propan-2-yl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)carbamoyl]pyrazole-4-carboxylate (CID 67775033) is ethyl 1-methyl-5-[(2-propan-2-yl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)carbamoyl]pyrazole-4-carboxylate.
What is the SMILES notation for ethyl 1-methyl-5-[(2-propan-2-yl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)carbamoyl]pyrazole-4-carboxylate?
The canonical SMILES for ethyl 1-methyl-5-[(2-propan-2-yl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)carbamoyl]pyrazole-4-carboxylate is CCOC(=O)c1cnn(C)c1C(=O)Nc1ccn2nc(C(C)C)nc2c1.
What is the InChIKey of ethyl 1-methyl-5-[(2-propan-2-yl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)carbamoyl]pyrazole-4-carboxylate?
The InChIKey is YDBSNFZQIVYUCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N6O3/c1-5-26-17(25)12-9-18-22(4)14(12)16(24)19-11-6-7-23-13(8-11)20-15(21-23)10(2)3/h6-10H,5H2,1-4H3,(H,19,24).
What are the key properties of ethyl 1-methyl-5-[(2-propan-2-yl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)carbamoyl]pyrazole-4-carboxylate?
ethyl 1-methyl-5-[(2-propan-2-yl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)carbamoyl]pyrazole-4-carboxylate has a molecular weight of 356.39 g/mol, XLogP of 2.02, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-methyl-5-[(2-propan-2-yl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)carbamoyl]pyrazole-4-carboxylate is sourced from PubChem (CID 67775033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).