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

C23H23ClFN7 — CID 58398086

IUPAC8-(2-chloro-4-fluorophenyl)-6-methyl-N-[1-(6-methylpyridazin-4-yl)piperidin-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine
SMILESCc1cc(-c2ccc(F)cc2Cl)c2nc(NC3CCN(c4cnnc(C)c4)CC3)nn2c1
InChIInChI=1S/C23H23ClFN7/c1-14-9-20(19-4-3-16(25)11-21(19)24)22-28-23(30-32(22)13-14)27-17-5-7-31(8-6-17)18-10-15(2)29-26-12-18/h3-4,9-13,17H,5-8H2,1-2H3,(H,27,30)
InChIKeyKJYFWWFBDJHTGY-UHFFFAOYSA-N
MW451.94 g/mol
LogP4.68
Rot. Bonds4

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

8-(2-chloro-4-fluorophenyl)-6-methyl-N-[1-(6-methylpyridazin-4-yl)piperidin-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine (PubChem CID 58398086) has the molecular formula C23H23ClFN7 and a molecular weight of 451.94 g/mol. Its IUPAC name is 8-(2-chloro-4-fluorophenyl)-6-methyl-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)-6-methyl-N-[1-(6-methylpyridazin-4-yl)piperidin-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine
PubChem CID58398086
Molecular FormulaC23H23ClFN7
Molecular Weight451.94 g/mol
Exact Mass451.17
IUPAC Name8-(2-chloro-4-fluorophenyl)-6-methyl-N-[1-(6-methylpyridazin-4-yl)piperidin-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine
SMILESCc1cc(-c2ccc(F)cc2Cl)c2nc(NC3CCN(c4cnnc(C)c4)CC3)nn2c1
InChIInChI=1S/C23H23ClFN7/c1-14-9-20(19-4-3-16(25)11-21(19)24)22-28-23(30-32(22)13-14)27-17-5-7-31(8-6-17)18-10-15(2)29-26-12-18/h3-4,9-13,17H,5-8H2,1-2H3,(H,27,30)
InChIKeyKJYFWWFBDJHTGY-UHFFFAOYSA-N
XLogP4.68
TPSA71.24 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.94
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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

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Frequently Asked Questions

What is the IUPAC name of 8-(2-chloro-4-fluorophenyl)-6-methyl-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)-6-methyl-N-[1-(6-methylpyridazin-4-yl)piperidin-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine (CID 58398086) is 8-(2-chloro-4-fluorophenyl)-6-methyl-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)-6-methyl-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)-6-methyl-N-[1-(6-methylpyridazin-4-yl)piperidin-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine is Cc1cc(-c2ccc(F)cc2Cl)c2nc(NC3CCN(c4cnnc(C)c4)CC3)nn2c1.
What is the InChIKey of 8-(2-chloro-4-fluorophenyl)-6-methyl-N-[1-(6-methylpyridazin-4-yl)piperidin-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine?
The InChIKey is KJYFWWFBDJHTGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23ClFN7/c1-14-9-20(19-4-3-16(25)11-21(19)24)22-28-23(30-32(22)13-14)27-17-5-7-31(8-6-17)18-10-15(2)29-26-12-18/h3-4,9-13,17H,5-8H2,1-2H3,(H,27,30).
What are the key properties of 8-(2-chloro-4-fluorophenyl)-6-methyl-N-[1-(6-methylpyridazin-4-yl)piperidin-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine?
8-(2-chloro-4-fluorophenyl)-6-methyl-N-[1-(6-methylpyridazin-4-yl)piperidin-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine has a molecular weight of 451.94 g/mol, XLogP of 4.68, 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)-6-methyl-N-[1-(6-methylpyridazin-4-yl)piperidin-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine is sourced from PubChem (CID 58398086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).