7-[5-(cyclopropylcarbamoyl)-3-fluoro-2-methylphenyl]-[1,2,4]triazolo[4,3-a]pyridine-3-carboxamide

C18H16FN5O2 — CID 25061133

IUPAC7-[5-(cyclopropylcarbamoyl)-3-fluoro-2-methylphenyl]-[1,2,4]triazolo[4,3-a]pyridine-3-carboxamide
SMILESCc1c(F)cc(C(=O)NC2CC2)cc1-c1ccn2c(C(N)=O)nnc2c1
InChIInChI=1S/C18H16FN5O2/c1-9-13(6-11(7-14(9)19)18(26)21-12-2-3-12)10-4-5-24-15(8-10)22-23-17(24)16(20)25/h4-8,12H,2-3H2,1H3,(H2,20,25)(H,21,26)
InChIKeyOUTXIDJSMUTVAH-UHFFFAOYSA-N
MW353.36 g/mol
LogP1.83
Rot. Bonds4

About 7-[5-(cyclopropylcarbamoyl)-3-fluoro-2-methylphenyl]-[1,2,4]triazolo[4,3-a]pyridine-3-carboxamide

7-[5-(cyclopropylcarbamoyl)-3-fluoro-2-methylphenyl]-[1,2,4]triazolo[4,3-a]pyridine-3-carboxamide (PubChem CID 25061133) has the molecular formula C18H16FN5O2 and a molecular weight of 353.36 g/mol. Its IUPAC name is 7-[5-(cyclopropylcarbamoyl)-3-fluoro-2-methylphenyl]-[1,2,4]triazolo[4,3-a]pyridine-3-carboxamide.

Molecular Properties

Compound Name7-[5-(cyclopropylcarbamoyl)-3-fluoro-2-methylphenyl]-[1,2,4]triazolo[4,3-a]pyridine-3-carboxamide
PubChem CID25061133
Molecular FormulaC18H16FN5O2
Molecular Weight353.36 g/mol
Exact Mass353.13
IUPAC Name7-[5-(cyclopropylcarbamoyl)-3-fluoro-2-methylphenyl]-[1,2,4]triazolo[4,3-a]pyridine-3-carboxamide
SMILESCc1c(F)cc(C(=O)NC2CC2)cc1-c1ccn2c(C(N)=O)nnc2c1
InChIInChI=1S/C18H16FN5O2/c1-9-13(6-11(7-14(9)19)18(26)21-12-2-3-12)10-4-5-24-15(8-10)22-23-17(24)16(20)25/h4-8,12H,2-3H2,1H3,(H2,20,25)(H,21,26)
InChIKeyOUTXIDJSMUTVAH-UHFFFAOYSA-N
XLogP1.83
TPSA102.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.36
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-[5-(cyclopropylcarbamoyl)-3-fluoro-2-methylphenyl]-[1,2,4]triazolo[4,3-a]pyridine-3-carboxamide?
The IUPAC name of 7-[5-(cyclopropylcarbamoyl)-3-fluoro-2-methylphenyl]-[1,2,4]triazolo[4,3-a]pyridine-3-carboxamide (CID 25061133) is 7-[5-(cyclopropylcarbamoyl)-3-fluoro-2-methylphenyl]-[1,2,4]triazolo[4,3-a]pyridine-3-carboxamide.
What is the SMILES notation for 7-[5-(cyclopropylcarbamoyl)-3-fluoro-2-methylphenyl]-[1,2,4]triazolo[4,3-a]pyridine-3-carboxamide?
The canonical SMILES for 7-[5-(cyclopropylcarbamoyl)-3-fluoro-2-methylphenyl]-[1,2,4]triazolo[4,3-a]pyridine-3-carboxamide is Cc1c(F)cc(C(=O)NC2CC2)cc1-c1ccn2c(C(N)=O)nnc2c1.
What is the InChIKey of 7-[5-(cyclopropylcarbamoyl)-3-fluoro-2-methylphenyl]-[1,2,4]triazolo[4,3-a]pyridine-3-carboxamide?
The InChIKey is OUTXIDJSMUTVAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16FN5O2/c1-9-13(6-11(7-14(9)19)18(26)21-12-2-3-12)10-4-5-24-15(8-10)22-23-17(24)16(20)25/h4-8,12H,2-3H2,1H3,(H2,20,25)(H,21,26).
What are the key properties of 7-[5-(cyclopropylcarbamoyl)-3-fluoro-2-methylphenyl]-[1,2,4]triazolo[4,3-a]pyridine-3-carboxamide?
7-[5-(cyclopropylcarbamoyl)-3-fluoro-2-methylphenyl]-[1,2,4]triazolo[4,3-a]pyridine-3-carboxamide has a molecular weight of 353.36 g/mol, XLogP of 1.83, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[5-(cyclopropylcarbamoyl)-3-fluoro-2-methylphenyl]-[1,2,4]triazolo[4,3-a]pyridine-3-carboxamide is sourced from PubChem (CID 25061133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).