5-[[2-[cyclopropyl(methyl)amino]-[1,2,4]triazolo[1,5-a]pyridin-7-yl]carbamoyl]-1-methylpyrazole-4-carboxylic acid

C16H17N7O3 — CID 67774177

IUPAC5-[[2-[cyclopropyl(methyl)amino]-[1,2,4]triazolo[1,5-a]pyridin-7-yl]carbamoyl]-1-methylpyrazole-4-carboxylic acid
SMILESCN(c1nc2cc(NC(=O)c3c(C(=O)O)cnn3C)ccn2n1)C1CC1
InChIInChI=1S/C16H17N7O3/c1-21(10-3-4-10)16-19-12-7-9(5-6-23(12)20-16)18-14(24)13-11(15(25)26)8-17-22(13)2/h5-8,10H,3-4H2,1-2H3,(H,18,24)(H,25,26)
InChIKeyPAZQSHCXGLBXES-UHFFFAOYSA-N
MW355.36 g/mol
LogP1.01
Rot. Bonds5

About 5-[[2-[cyclopropyl(methyl)amino]-[1,2,4]triazolo[1,5-a]pyridin-7-yl]carbamoyl]-1-methylpyrazole-4-carboxylic acid

5-[[2-[cyclopropyl(methyl)amino]-[1,2,4]triazolo[1,5-a]pyridin-7-yl]carbamoyl]-1-methylpyrazole-4-carboxylic acid (PubChem CID 67774177) has the molecular formula C16H17N7O3 and a molecular weight of 355.36 g/mol. Its IUPAC name is 5-[[2-[cyclopropyl(methyl)amino]-[1,2,4]triazolo[1,5-a]pyridin-7-yl]carbamoyl]-1-methylpyrazole-4-carboxylic acid.

Molecular Properties

Compound Name5-[[2-[cyclopropyl(methyl)amino]-[1,2,4]triazolo[1,5-a]pyridin-7-yl]carbamoyl]-1-methylpyrazole-4-carboxylic acid
PubChem CID67774177
Molecular FormulaC16H17N7O3
Molecular Weight355.36 g/mol
Exact Mass355.14
IUPAC Name5-[[2-[cyclopropyl(methyl)amino]-[1,2,4]triazolo[1,5-a]pyridin-7-yl]carbamoyl]-1-methylpyrazole-4-carboxylic acid
SMILESCN(c1nc2cc(NC(=O)c3c(C(=O)O)cnn3C)ccn2n1)C1CC1
InChIInChI=1S/C16H17N7O3/c1-21(10-3-4-10)16-19-12-7-9(5-6-23(12)20-16)18-14(24)13-11(15(25)26)8-17-22(13)2/h5-8,10H,3-4H2,1-2H3,(H,18,24)(H,25,26)
InChIKeyPAZQSHCXGLBXES-UHFFFAOYSA-N
XLogP1.01
TPSA117.65 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.36
LogP ≤ 51.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 5-[[2-[cyclopropyl(methyl)amino]-[1,2,4]triazolo[1,5-a]pyridin-7-yl]carbamoyl]-1-methylpyrazole-4-carboxylic acid?
The IUPAC name of 5-[[2-[cyclopropyl(methyl)amino]-[1,2,4]triazolo[1,5-a]pyridin-7-yl]carbamoyl]-1-methylpyrazole-4-carboxylic acid (CID 67774177) is 5-[[2-[cyclopropyl(methyl)amino]-[1,2,4]triazolo[1,5-a]pyridin-7-yl]carbamoyl]-1-methylpyrazole-4-carboxylic acid.
What is the SMILES notation for 5-[[2-[cyclopropyl(methyl)amino]-[1,2,4]triazolo[1,5-a]pyridin-7-yl]carbamoyl]-1-methylpyrazole-4-carboxylic acid?
The canonical SMILES for 5-[[2-[cyclopropyl(methyl)amino]-[1,2,4]triazolo[1,5-a]pyridin-7-yl]carbamoyl]-1-methylpyrazole-4-carboxylic acid is CN(c1nc2cc(NC(=O)c3c(C(=O)O)cnn3C)ccn2n1)C1CC1.
What is the InChIKey of 5-[[2-[cyclopropyl(methyl)amino]-[1,2,4]triazolo[1,5-a]pyridin-7-yl]carbamoyl]-1-methylpyrazole-4-carboxylic acid?
The InChIKey is PAZQSHCXGLBXES-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N7O3/c1-21(10-3-4-10)16-19-12-7-9(5-6-23(12)20-16)18-14(24)13-11(15(25)26)8-17-22(13)2/h5-8,10H,3-4H2,1-2H3,(H,18,24)(H,25,26).
What are the key properties of 5-[[2-[cyclopropyl(methyl)amino]-[1,2,4]triazolo[1,5-a]pyridin-7-yl]carbamoyl]-1-methylpyrazole-4-carboxylic acid?
5-[[2-[cyclopropyl(methyl)amino]-[1,2,4]triazolo[1,5-a]pyridin-7-yl]carbamoyl]-1-methylpyrazole-4-carboxylic acid has a molecular weight of 355.36 g/mol, XLogP of 1.01, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[2-[cyclopropyl(methyl)amino]-[1,2,4]triazolo[1,5-a]pyridin-7-yl]carbamoyl]-1-methylpyrazole-4-carboxylic acid is sourced from PubChem (CID 67774177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).