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

C22H17ClFN5O — CID 24896573

IUPAC3-[3-(3-chloro-4-pyridinyl)-[1,2,4]triazolo[4,3-a]pyridin-7-yl]-N-cyclopropyl-5-fluoro-4-methylbenzamide
SMILESCc1c(F)cc(C(=O)NC2CC2)cc1-c1ccn2c(-c3ccncc3Cl)nnc2c1
InChIInChI=1S/C22H17ClFN5O/c1-12-17(8-14(9-19(12)24)22(30)26-15-2-3-15)13-5-7-29-20(10-13)27-28-21(29)16-4-6-25-11-18(16)23/h4-11,15H,2-3H2,1H3,(H,26,30)
InChIKeyNZCDHWXRRMMWDP-UHFFFAOYSA-N
MW421.86 g/mol
LogP4.45
Rot. Bonds4

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

3-[3-(3-chloro-4-pyridinyl)-[1,2,4]triazolo[4,3-a]pyridin-7-yl]-N-cyclopropyl-5-fluoro-4-methylbenzamide (PubChem CID 24896573) has the molecular formula C22H17ClFN5O and a molecular weight of 421.86 g/mol. Its IUPAC name is 3-[3-(3-chloro-4-pyridinyl)-[1,2,4]triazolo[4,3-a]pyridin-7-yl]-N-cyclopropyl-5-fluoro-4-methylbenzamide.

Molecular Properties

Compound Name3-[3-(3-chloro-4-pyridinyl)-[1,2,4]triazolo[4,3-a]pyridin-7-yl]-N-cyclopropyl-5-fluoro-4-methylbenzamide
PubChem CID24896573
Molecular FormulaC22H17ClFN5O
Molecular Weight421.86 g/mol
Exact Mass421.11
IUPAC Name3-[3-(3-chloro-4-pyridinyl)-[1,2,4]triazolo[4,3-a]pyridin-7-yl]-N-cyclopropyl-5-fluoro-4-methylbenzamide
SMILESCc1c(F)cc(C(=O)NC2CC2)cc1-c1ccn2c(-c3ccncc3Cl)nnc2c1
InChIInChI=1S/C22H17ClFN5O/c1-12-17(8-14(9-19(12)24)22(30)26-15-2-3-15)13-5-7-29-20(10-13)27-28-21(29)16-4-6-25-11-18(16)23/h4-11,15H,2-3H2,1H3,(H,26,30)
InChIKeyNZCDHWXRRMMWDP-UHFFFAOYSA-N
XLogP4.45
TPSA72.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.86
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[3-(3-chloro-4-pyridinyl)-[1,2,4]triazolo[4,3-a]pyridin-7-yl]-N-cyclopropyl-5-fluoro-4-methylbenzamide?
The IUPAC name of 3-[3-(3-chloro-4-pyridinyl)-[1,2,4]triazolo[4,3-a]pyridin-7-yl]-N-cyclopropyl-5-fluoro-4-methylbenzamide (CID 24896573) is 3-[3-(3-chloro-4-pyridinyl)-[1,2,4]triazolo[4,3-a]pyridin-7-yl]-N-cyclopropyl-5-fluoro-4-methylbenzamide.
What is the SMILES notation for 3-[3-(3-chloro-4-pyridinyl)-[1,2,4]triazolo[4,3-a]pyridin-7-yl]-N-cyclopropyl-5-fluoro-4-methylbenzamide?
The canonical SMILES for 3-[3-(3-chloro-4-pyridinyl)-[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(-c3ccncc3Cl)nnc2c1.
What is the InChIKey of 3-[3-(3-chloro-4-pyridinyl)-[1,2,4]triazolo[4,3-a]pyridin-7-yl]-N-cyclopropyl-5-fluoro-4-methylbenzamide?
The InChIKey is NZCDHWXRRMMWDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17ClFN5O/c1-12-17(8-14(9-19(12)24)22(30)26-15-2-3-15)13-5-7-29-20(10-13)27-28-21(29)16-4-6-25-11-18(16)23/h4-11,15H,2-3H2,1H3,(H,26,30).
What are the key properties of 3-[3-(3-chloro-4-pyridinyl)-[1,2,4]triazolo[4,3-a]pyridin-7-yl]-N-cyclopropyl-5-fluoro-4-methylbenzamide?
3-[3-(3-chloro-4-pyridinyl)-[1,2,4]triazolo[4,3-a]pyridin-7-yl]-N-cyclopropyl-5-fluoro-4-methylbenzamide has a molecular weight of 421.86 g/mol, XLogP of 4.45, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(3-chloro-4-pyridinyl)-[1,2,4]triazolo[4,3-a]pyridin-7-yl]-N-cyclopropyl-5-fluoro-4-methylbenzamide is sourced from PubChem (CID 24896573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).