1-methyl-5-[(2-morpholin-4-yl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)carbamoyl]pyrazole-4-carboxylic acid

C16H17N7O4 — CID 89464309

IUPAC1-methyl-5-[(2-morpholin-4-yl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)carbamoyl]pyrazole-4-carboxylic acid
SMILESCn1ncc(C(=O)O)c1C(=O)Nc1ccc2nc(N3CCOCC3)nn2c1
InChIInChI=1S/C16H17N7O4/c1-21-13(11(8-17-21)15(25)26)14(24)18-10-2-3-12-19-16(20-23(12)9-10)22-4-6-27-7-5-22/h2-3,8-9H,4-7H2,1H3,(H,18,24)(H,25,26)
InChIKeyNSVHGRPFAZPHAN-UHFFFAOYSA-N
MW371.36 g/mol
LogP0.25
Rot. Bonds4

About 1-methyl-5-[(2-morpholin-4-yl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)carbamoyl]pyrazole-4-carboxylic acid

1-methyl-5-[(2-morpholin-4-yl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)carbamoyl]pyrazole-4-carboxylic acid (PubChem CID 89464309) has the molecular formula C16H17N7O4 and a molecular weight of 371.36 g/mol. Its IUPAC name is 1-methyl-5-[(2-morpholin-4-yl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)carbamoyl]pyrazole-4-carboxylic acid.

Molecular Properties

Compound Name1-methyl-5-[(2-morpholin-4-yl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)carbamoyl]pyrazole-4-carboxylic acid
PubChem CID89464309
Molecular FormulaC16H17N7O4
Molecular Weight371.36 g/mol
Exact Mass371.13
IUPAC Name1-methyl-5-[(2-morpholin-4-yl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)carbamoyl]pyrazole-4-carboxylic acid
SMILESCn1ncc(C(=O)O)c1C(=O)Nc1ccc2nc(N3CCOCC3)nn2c1
InChIInChI=1S/C16H17N7O4/c1-21-13(11(8-17-21)15(25)26)14(24)18-10-2-3-12-19-16(20-23(12)9-10)22-4-6-27-7-5-22/h2-3,8-9H,4-7H2,1H3,(H,18,24)(H,25,26)
InChIKeyNSVHGRPFAZPHAN-UHFFFAOYSA-N
XLogP0.25
TPSA126.88 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.36
LogP ≤ 50.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-5-[(2-morpholin-4-yl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)carbamoyl]pyrazole-4-carboxylic acid?
The IUPAC name of 1-methyl-5-[(2-morpholin-4-yl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)carbamoyl]pyrazole-4-carboxylic acid (CID 89464309) is 1-methyl-5-[(2-morpholin-4-yl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)carbamoyl]pyrazole-4-carboxylic acid.
What is the SMILES notation for 1-methyl-5-[(2-morpholin-4-yl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)carbamoyl]pyrazole-4-carboxylic acid?
The canonical SMILES for 1-methyl-5-[(2-morpholin-4-yl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)carbamoyl]pyrazole-4-carboxylic acid is Cn1ncc(C(=O)O)c1C(=O)Nc1ccc2nc(N3CCOCC3)nn2c1.
What is the InChIKey of 1-methyl-5-[(2-morpholin-4-yl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)carbamoyl]pyrazole-4-carboxylic acid?
The InChIKey is NSVHGRPFAZPHAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N7O4/c1-21-13(11(8-17-21)15(25)26)14(24)18-10-2-3-12-19-16(20-23(12)9-10)22-4-6-27-7-5-22/h2-3,8-9H,4-7H2,1H3,(H,18,24)(H,25,26).
What are the key properties of 1-methyl-5-[(2-morpholin-4-yl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)carbamoyl]pyrazole-4-carboxylic acid?
1-methyl-5-[(2-morpholin-4-yl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)carbamoyl]pyrazole-4-carboxylic acid has a molecular weight of 371.36 g/mol, XLogP of 0.25, 4 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-5-[(2-morpholin-4-yl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)carbamoyl]pyrazole-4-carboxylic acid is sourced from PubChem (CID 89464309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).