N-cyclopropyl-3-fluoro-4-methyl-5-(3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridin-7-yl)benzamide

C20H21FN4O — CID 25060358

IUPACN-cyclopropyl-3-fluoro-4-methyl-5-(3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridin-7-yl)benzamide
SMILESCc1c(F)cc(C(=O)NC2CC2)cc1-c1ccn2c(C(C)C)nnc2c1
InChIInChI=1S/C20H21FN4O/c1-11(2)19-24-23-18-10-13(6-7-25(18)19)16-8-14(9-17(21)12(16)3)20(26)22-15-4-5-15/h6-11,15H,4-5H2,1-3H3,(H,22,26)
InChIKeyRTFCJDCBIBPWCR-UHFFFAOYSA-N
MW352.41 g/mol
LogP3.86
Rot. Bonds4

About N-cyclopropyl-3-fluoro-4-methyl-5-(3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridin-7-yl)benzamide

N-cyclopropyl-3-fluoro-4-methyl-5-(3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridin-7-yl)benzamide (PubChem CID 25060358) has the molecular formula C20H21FN4O and a molecular weight of 352.41 g/mol. Its IUPAC name is N-cyclopropyl-3-fluoro-4-methyl-5-(3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridin-7-yl)benzamide.

Molecular Properties

Compound NameN-cyclopropyl-3-fluoro-4-methyl-5-(3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridin-7-yl)benzamide
PubChem CID25060358
Molecular FormulaC20H21FN4O
Molecular Weight352.41 g/mol
Exact Mass352.17
IUPAC NameN-cyclopropyl-3-fluoro-4-methyl-5-(3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridin-7-yl)benzamide
SMILESCc1c(F)cc(C(=O)NC2CC2)cc1-c1ccn2c(C(C)C)nnc2c1
InChIInChI=1S/C20H21FN4O/c1-11(2)19-24-23-18-10-13(6-7-25(18)19)16-8-14(9-17(21)12(16)3)20(26)22-15-4-5-15/h6-11,15H,4-5H2,1-3H3,(H,22,26)
InChIKeyRTFCJDCBIBPWCR-UHFFFAOYSA-N
XLogP3.86
TPSA59.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.41
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-3-fluoro-4-methyl-5-(3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridin-7-yl)benzamide?
The IUPAC name of N-cyclopropyl-3-fluoro-4-methyl-5-(3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridin-7-yl)benzamide (CID 25060358) is N-cyclopropyl-3-fluoro-4-methyl-5-(3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridin-7-yl)benzamide.
What is the SMILES notation for N-cyclopropyl-3-fluoro-4-methyl-5-(3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridin-7-yl)benzamide?
The canonical SMILES for N-cyclopropyl-3-fluoro-4-methyl-5-(3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridin-7-yl)benzamide is Cc1c(F)cc(C(=O)NC2CC2)cc1-c1ccn2c(C(C)C)nnc2c1.
What is the InChIKey of N-cyclopropyl-3-fluoro-4-methyl-5-(3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridin-7-yl)benzamide?
The InChIKey is RTFCJDCBIBPWCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21FN4O/c1-11(2)19-24-23-18-10-13(6-7-25(18)19)16-8-14(9-17(21)12(16)3)20(26)22-15-4-5-15/h6-11,15H,4-5H2,1-3H3,(H,22,26).
What are the key properties of N-cyclopropyl-3-fluoro-4-methyl-5-(3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridin-7-yl)benzamide?
N-cyclopropyl-3-fluoro-4-methyl-5-(3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridin-7-yl)benzamide has a molecular weight of 352.41 g/mol, XLogP of 3.86, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-3-fluoro-4-methyl-5-(3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridin-7-yl)benzamide is sourced from PubChem (CID 25060358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).