3-[3-(2-aminopropan-2-yl)-[1,2,4]triazolo[4,3-a]pyridin-7-yl]-N-cyclopropyl-5-fluoro-4-methylbenzamide

C20H22FN5O — CID 25060630

IUPAC3-[3-(2-aminopropan-2-yl)-[1,2,4]triazolo[4,3-a]pyridin-7-yl]-N-cyclopropyl-5-fluoro-4-methylbenzamide
SMILESCc1c(F)cc(C(=O)NC2CC2)cc1-c1ccn2c(C(C)(C)N)nnc2c1
InChIInChI=1S/C20H22FN5O/c1-11-15(8-13(9-16(11)21)18(27)23-14-4-5-14)12-6-7-26-17(10-12)24-25-19(26)20(2,3)22/h6-10,14H,4-5,22H2,1-3H3,(H,23,27)
InChIKeyOJAXNTGFVLEVJY-UHFFFAOYSA-N
MW367.43 g/mol
LogP2.93
Rot. Bonds4

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

3-[3-(2-aminopropan-2-yl)-[1,2,4]triazolo[4,3-a]pyridin-7-yl]-N-cyclopropyl-5-fluoro-4-methylbenzamide (PubChem CID 25060630) has the molecular formula C20H22FN5O and a molecular weight of 367.43 g/mol. Its IUPAC name is 3-[3-(2-aminopropan-2-yl)-[1,2,4]triazolo[4,3-a]pyridin-7-yl]-N-cyclopropyl-5-fluoro-4-methylbenzamide.

Molecular Properties

Compound Name3-[3-(2-aminopropan-2-yl)-[1,2,4]triazolo[4,3-a]pyridin-7-yl]-N-cyclopropyl-5-fluoro-4-methylbenzamide
PubChem CID25060630
Molecular FormulaC20H22FN5O
Molecular Weight367.43 g/mol
Exact Mass367.18
IUPAC Name3-[3-(2-aminopropan-2-yl)-[1,2,4]triazolo[4,3-a]pyridin-7-yl]-N-cyclopropyl-5-fluoro-4-methylbenzamide
SMILESCc1c(F)cc(C(=O)NC2CC2)cc1-c1ccn2c(C(C)(C)N)nnc2c1
InChIInChI=1S/C20H22FN5O/c1-11-15(8-13(9-16(11)21)18(27)23-14-4-5-14)12-6-7-26-17(10-12)24-25-19(26)20(2,3)22/h6-10,14H,4-5,22H2,1-3H3,(H,23,27)
InChIKeyOJAXNTGFVLEVJY-UHFFFAOYSA-N
XLogP2.93
TPSA85.31 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.43
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[3-(2-aminopropan-2-yl)-[1,2,4]triazolo[4,3-a]pyridin-7-yl]-N-cyclopropyl-5-fluoro-4-methylbenzamide?
The IUPAC name of 3-[3-(2-aminopropan-2-yl)-[1,2,4]triazolo[4,3-a]pyridin-7-yl]-N-cyclopropyl-5-fluoro-4-methylbenzamide (CID 25060630) is 3-[3-(2-aminopropan-2-yl)-[1,2,4]triazolo[4,3-a]pyridin-7-yl]-N-cyclopropyl-5-fluoro-4-methylbenzamide.
What is the SMILES notation for 3-[3-(2-aminopropan-2-yl)-[1,2,4]triazolo[4,3-a]pyridin-7-yl]-N-cyclopropyl-5-fluoro-4-methylbenzamide?
The canonical SMILES for 3-[3-(2-aminopropan-2-yl)-[1,2,4]triazolo[4,3-a]pyridin-7-yl]-N-cyclopropyl-5-fluoro-4-methylbenzamide is Cc1c(F)cc(C(=O)NC2CC2)cc1-c1ccn2c(C(C)(C)N)nnc2c1.
What is the InChIKey of 3-[3-(2-aminopropan-2-yl)-[1,2,4]triazolo[4,3-a]pyridin-7-yl]-N-cyclopropyl-5-fluoro-4-methylbenzamide?
The InChIKey is OJAXNTGFVLEVJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22FN5O/c1-11-15(8-13(9-16(11)21)18(27)23-14-4-5-14)12-6-7-26-17(10-12)24-25-19(26)20(2,3)22/h6-10,14H,4-5,22H2,1-3H3,(H,23,27).
What are the key properties of 3-[3-(2-aminopropan-2-yl)-[1,2,4]triazolo[4,3-a]pyridin-7-yl]-N-cyclopropyl-5-fluoro-4-methylbenzamide?
3-[3-(2-aminopropan-2-yl)-[1,2,4]triazolo[4,3-a]pyridin-7-yl]-N-cyclopropyl-5-fluoro-4-methylbenzamide has a molecular weight of 367.43 g/mol, XLogP of 2.93, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(2-aminopropan-2-yl)-[1,2,4]triazolo[4,3-a]pyridin-7-yl]-N-cyclopropyl-5-fluoro-4-methylbenzamide is sourced from PubChem (CID 25060630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).