8-(2-chloro-4-fluorophenyl)-N-[1-(6-methylpyridazin-4-yl)piperidin-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine

C22H21ClFN7 — CID 58397981

IUPAC8-(2-chloro-4-fluorophenyl)-N-[1-(6-methylpyridazin-4-yl)piperidin-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine
SMILESCc1cc(N2CCC(Nc3nc4c(-c5ccc(F)cc5Cl)cccn4n3)CC2)cnn1
InChIInChI=1S/C22H21ClFN7/c1-14-11-17(13-25-28-14)30-9-6-16(7-10-30)26-22-27-21-19(3-2-8-31(21)29-22)18-5-4-15(24)12-20(18)23/h2-5,8,11-13,16H,6-7,9-10H2,1H3,(H,26,29)
InChIKeyOWPVEHKCQCELIV-UHFFFAOYSA-N
MW437.91 g/mol
LogP4.37
Rot. Bonds4

About 8-(2-chloro-4-fluorophenyl)-N-[1-(6-methylpyridazin-4-yl)piperidin-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine

8-(2-chloro-4-fluorophenyl)-N-[1-(6-methylpyridazin-4-yl)piperidin-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine (PubChem CID 58397981) has the molecular formula C22H21ClFN7 and a molecular weight of 437.91 g/mol. Its IUPAC name is 8-(2-chloro-4-fluorophenyl)-N-[1-(6-methylpyridazin-4-yl)piperidin-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine.

Molecular Properties

Compound Name8-(2-chloro-4-fluorophenyl)-N-[1-(6-methylpyridazin-4-yl)piperidin-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine
PubChem CID58397981
Molecular FormulaC22H21ClFN7
Molecular Weight437.91 g/mol
Exact Mass437.15
IUPAC Name8-(2-chloro-4-fluorophenyl)-N-[1-(6-methylpyridazin-4-yl)piperidin-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine
SMILESCc1cc(N2CCC(Nc3nc4c(-c5ccc(F)cc5Cl)cccn4n3)CC2)cnn1
InChIInChI=1S/C22H21ClFN7/c1-14-11-17(13-25-28-14)30-9-6-16(7-10-30)26-22-27-21-19(3-2-8-31(21)29-22)18-5-4-15(24)12-20(18)23/h2-5,8,11-13,16H,6-7,9-10H2,1H3,(H,26,29)
InChIKeyOWPVEHKCQCELIV-UHFFFAOYSA-N
XLogP4.37
TPSA71.24 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.91
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 8-(2-chloro-4-fluorophenyl)-N-[1-(6-methylpyridazin-4-yl)piperidin-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine 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 8-(2-chloro-4-fluorophenyl)-N-[1-(6-methylpyridazin-4-yl)piperidin-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine?
The IUPAC name of 8-(2-chloro-4-fluorophenyl)-N-[1-(6-methylpyridazin-4-yl)piperidin-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine (CID 58397981) is 8-(2-chloro-4-fluorophenyl)-N-[1-(6-methylpyridazin-4-yl)piperidin-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine.
What is the SMILES notation for 8-(2-chloro-4-fluorophenyl)-N-[1-(6-methylpyridazin-4-yl)piperidin-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine?
The canonical SMILES for 8-(2-chloro-4-fluorophenyl)-N-[1-(6-methylpyridazin-4-yl)piperidin-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine is Cc1cc(N2CCC(Nc3nc4c(-c5ccc(F)cc5Cl)cccn4n3)CC2)cnn1.
What is the InChIKey of 8-(2-chloro-4-fluorophenyl)-N-[1-(6-methylpyridazin-4-yl)piperidin-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine?
The InChIKey is OWPVEHKCQCELIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21ClFN7/c1-14-11-17(13-25-28-14)30-9-6-16(7-10-30)26-22-27-21-19(3-2-8-31(21)29-22)18-5-4-15(24)12-20(18)23/h2-5,8,11-13,16H,6-7,9-10H2,1H3,(H,26,29).
What are the key properties of 8-(2-chloro-4-fluorophenyl)-N-[1-(6-methylpyridazin-4-yl)piperidin-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine?
8-(2-chloro-4-fluorophenyl)-N-[1-(6-methylpyridazin-4-yl)piperidin-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine has a molecular weight of 437.91 g/mol, XLogP of 4.37, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(2-chloro-4-fluorophenyl)-N-[1-(6-methylpyridazin-4-yl)piperidin-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine is sourced from PubChem (CID 58397981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).