4-[8-chloro-3-(cyclopropylmethyl)-[1,2,4]triazolo[4,3-a]pyridin-7-yl]-2-fluoro-N-propan-2-ylaniline

C19H20ClFN4 — CID 66784890

IUPAC4-[8-chloro-3-(cyclopropylmethyl)-[1,2,4]triazolo[4,3-a]pyridin-7-yl]-2-fluoro-N-propan-2-ylaniline
SMILESCC(C)Nc1ccc(-c2ccn3c(CC4CC4)nnc3c2Cl)cc1F
InChIInChI=1S/C19H20ClFN4/c1-11(2)22-16-6-5-13(10-15(16)21)14-7-8-25-17(9-12-3-4-12)23-24-19(25)18(14)20/h5-8,10-12,22H,3-4,9H2,1-2H3
InChIKeyCPRAFSBECNYZNT-UHFFFAOYSA-N
MW358.85 g/mol
LogP4.96
Rot. Bonds5

About 4-[8-chloro-3-(cyclopropylmethyl)-[1,2,4]triazolo[4,3-a]pyridin-7-yl]-2-fluoro-N-propan-2-ylaniline

4-[8-chloro-3-(cyclopropylmethyl)-[1,2,4]triazolo[4,3-a]pyridin-7-yl]-2-fluoro-N-propan-2-ylaniline (PubChem CID 66784890) has the molecular formula C19H20ClFN4 and a molecular weight of 358.85 g/mol. Its IUPAC name is 4-[8-chloro-3-(cyclopropylmethyl)-[1,2,4]triazolo[4,3-a]pyridin-7-yl]-2-fluoro-N-propan-2-ylaniline.

Molecular Properties

Compound Name4-[8-chloro-3-(cyclopropylmethyl)-[1,2,4]triazolo[4,3-a]pyridin-7-yl]-2-fluoro-N-propan-2-ylaniline
PubChem CID66784890
Molecular FormulaC19H20ClFN4
Molecular Weight358.85 g/mol
Exact Mass358.14
IUPAC Name4-[8-chloro-3-(cyclopropylmethyl)-[1,2,4]triazolo[4,3-a]pyridin-7-yl]-2-fluoro-N-propan-2-ylaniline
SMILESCC(C)Nc1ccc(-c2ccn3c(CC4CC4)nnc3c2Cl)cc1F
InChIInChI=1S/C19H20ClFN4/c1-11(2)22-16-6-5-13(10-15(16)21)14-7-8-25-17(9-12-3-4-12)23-24-19(25)18(14)20/h5-8,10-12,22H,3-4,9H2,1-2H3
InChIKeyCPRAFSBECNYZNT-UHFFFAOYSA-N
XLogP4.96
TPSA42.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.85
LogP ≤ 54.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-[8-chloro-3-(cyclopropylmethyl)-[1,2,4]triazolo[4,3-a]pyridin-7-yl]-2-fluoro-N-propan-2-ylaniline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[8-chloro-3-(cyclopropylmethyl)-[1,2,4]triazolo[4,3-a]pyridin-7-yl]-2-fluoro-N-propan-2-ylaniline?
The IUPAC name of 4-[8-chloro-3-(cyclopropylmethyl)-[1,2,4]triazolo[4,3-a]pyridin-7-yl]-2-fluoro-N-propan-2-ylaniline (CID 66784890) is 4-[8-chloro-3-(cyclopropylmethyl)-[1,2,4]triazolo[4,3-a]pyridin-7-yl]-2-fluoro-N-propan-2-ylaniline.
What is the SMILES notation for 4-[8-chloro-3-(cyclopropylmethyl)-[1,2,4]triazolo[4,3-a]pyridin-7-yl]-2-fluoro-N-propan-2-ylaniline?
The canonical SMILES for 4-[8-chloro-3-(cyclopropylmethyl)-[1,2,4]triazolo[4,3-a]pyridin-7-yl]-2-fluoro-N-propan-2-ylaniline is CC(C)Nc1ccc(-c2ccn3c(CC4CC4)nnc3c2Cl)cc1F.
What is the InChIKey of 4-[8-chloro-3-(cyclopropylmethyl)-[1,2,4]triazolo[4,3-a]pyridin-7-yl]-2-fluoro-N-propan-2-ylaniline?
The InChIKey is CPRAFSBECNYZNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClFN4/c1-11(2)22-16-6-5-13(10-15(16)21)14-7-8-25-17(9-12-3-4-12)23-24-19(25)18(14)20/h5-8,10-12,22H,3-4,9H2,1-2H3.
What are the key properties of 4-[8-chloro-3-(cyclopropylmethyl)-[1,2,4]triazolo[4,3-a]pyridin-7-yl]-2-fluoro-N-propan-2-ylaniline?
4-[8-chloro-3-(cyclopropylmethyl)-[1,2,4]triazolo[4,3-a]pyridin-7-yl]-2-fluoro-N-propan-2-ylaniline has a molecular weight of 358.85 g/mol, XLogP of 4.96, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[8-chloro-3-(cyclopropylmethyl)-[1,2,4]triazolo[4,3-a]pyridin-7-yl]-2-fluoro-N-propan-2-ylaniline is sourced from PubChem (CID 66784890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).