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

C18H21N7O3 — CID 67776385

IUPACethyl 1-methyl-5-[(2-pyrrolidin-1-yl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)carbamoyl]pyrazole-4-carboxylate
SMILESCCOC(=O)c1cnn(C)c1C(=O)Nc1ccn2nc(N3CCCC3)nc2c1
InChIInChI=1S/C18H21N7O3/c1-3-28-17(27)13-11-19-23(2)15(13)16(26)20-12-6-9-25-14(10-12)21-18(22-25)24-7-4-5-8-24/h6,9-11H,3-5,7-8H2,1-2H3,(H,20,26)
InChIKeyIEORIWQNVGFZLC-UHFFFAOYSA-N
MW383.41 g/mol
LogP1.49
Rot. Bonds5

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

ethyl 1-methyl-5-[(2-pyrrolidin-1-yl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)carbamoyl]pyrazole-4-carboxylate (PubChem CID 67776385) has the molecular formula C18H21N7O3 and a molecular weight of 383.41 g/mol. Its IUPAC name is ethyl 1-methyl-5-[(2-pyrrolidin-1-yl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)carbamoyl]pyrazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-methyl-5-[(2-pyrrolidin-1-yl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)carbamoyl]pyrazole-4-carboxylate
PubChem CID67776385
Molecular FormulaC18H21N7O3
Molecular Weight383.41 g/mol
Exact Mass383.17
IUPAC Nameethyl 1-methyl-5-[(2-pyrrolidin-1-yl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)carbamoyl]pyrazole-4-carboxylate
SMILESCCOC(=O)c1cnn(C)c1C(=O)Nc1ccn2nc(N3CCCC3)nc2c1
InChIInChI=1S/C18H21N7O3/c1-3-28-17(27)13-11-19-23(2)15(13)16(26)20-12-6-9-25-14(10-12)21-18(22-25)24-7-4-5-8-24/h6,9-11H,3-5,7-8H2,1-2H3,(H,20,26)
InChIKeyIEORIWQNVGFZLC-UHFFFAOYSA-N
XLogP1.49
TPSA106.65 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.41
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Related Compounds

4-(azetidine-1-carbonyl)-1-methyl-N-(2-pyrrolidin-1-yl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrazole-5-carboxamide
CID 71538978
N-(2-(dimethylamino)-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-4-(3-fluoroazetidine-1-carbonyl)-1-methyl-1H-pyrazole-5-carboxamide
CID 57377850
4-(3-fluoro-azetidine-1-carbonyl)-2-methyl-2H-pyrazole-3-carboxylic acid (2-morpholin-4-yl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-amide
CID 57377956
4-(3-fluoro-azetidine-1-carbonyl)-2-methyl-2H-pyrazole-3-carboxylic acid (2-isopropyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-amide
CID 57378066
4-N,2-dimethyl-3-N-(2-morpholin-4-yl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-4-N-(2,2,2-trifluoroethyl)pyrazole-3,4-dicarboxamide
CID 57378176
4-(azetidine-1-carbonyl)-2-methyl-2H-pyrazole-3-carboxylic acid {2-[(2-fluoro-ethyl)-methyl-amino]-[1,2,4]triazolo[1,5-a]pyridin-7-yl}-amide
CID 57378391
N-[2-[2-fluoroethyl(methyl)amino]-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-1-methyl-4-(morpholine-4-carbonyl)pyrazole-5-carboxamide
CID 57378392
5-[2-(3-fluoro-phenyl)-[1,2,4]triazolo[1,5-a]pyridin-7-ylcarbamoyl]-1-methyl-1H-pyrazole-4-carboxylic acid ethyl ester
CID 67774601
5-(2-(2-fluoropyridin-4-yl)-[1,2,4]triazolo[1,5-a]pyridin-7-ylcarbamoyl)-1-methyl-1H-pyrazole-4-carboxylic acid
CID 67774901
5-(2-(3-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-7-ylcarbamoyl)-1-methyl-1H-pyrazole-4-carboxylic acid
CID 67775229
5-[2-(2-fluoro-pyridin-4-yl)-[1,2,4]triazolo[1,5-a]pyridin-7-ylcarbamoyl]-1-methyl-1H-pyrazole-4-carboxylic acid ethyl ester
CID 67775738
5-(2-(2-fluoropyridin-3-yl)-[1,2,4]triazolo[1,5-a]pyridin-7-ylcarbamoyl)-1-methyl-1H-pyrazole-4-carboxylic acid
CID 67775880

Frequently Asked Questions

What is the IUPAC name of ethyl 1-methyl-5-[(2-pyrrolidin-1-yl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)carbamoyl]pyrazole-4-carboxylate?
The IUPAC name of ethyl 1-methyl-5-[(2-pyrrolidin-1-yl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)carbamoyl]pyrazole-4-carboxylate (CID 67776385) is ethyl 1-methyl-5-[(2-pyrrolidin-1-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-pyrrolidin-1-yl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)carbamoyl]pyrazole-4-carboxylate?
The canonical SMILES for ethyl 1-methyl-5-[(2-pyrrolidin-1-yl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)carbamoyl]pyrazole-4-carboxylate is CCOC(=O)c1cnn(C)c1C(=O)Nc1ccn2nc(N3CCCC3)nc2c1.
What is the InChIKey of ethyl 1-methyl-5-[(2-pyrrolidin-1-yl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)carbamoyl]pyrazole-4-carboxylate?
The InChIKey is IEORIWQNVGFZLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N7O3/c1-3-28-17(27)13-11-19-23(2)15(13)16(26)20-12-6-9-25-14(10-12)21-18(22-25)24-7-4-5-8-24/h6,9-11H,3-5,7-8H2,1-2H3,(H,20,26).
What are the key properties of ethyl 1-methyl-5-[(2-pyrrolidin-1-yl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)carbamoyl]pyrazole-4-carboxylate?
ethyl 1-methyl-5-[(2-pyrrolidin-1-yl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)carbamoyl]pyrazole-4-carboxylate has a molecular weight of 383.41 g/mol, XLogP of 1.49, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-methyl-5-[(2-pyrrolidin-1-yl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)carbamoyl]pyrazole-4-carboxylate is sourced from PubChem (CID 67776385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).