4-[3-[(4-chlorophenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridin-7-yl]-N-(2-methylpyrazol-3-yl)pyridin-2-amine

C22H18ClN7 — CID 118209474

IUPAC4-[3-[(4-chlorophenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridin-7-yl]-N-(2-methylpyrazol-3-yl)pyridin-2-amine
SMILESCn1nccc1Nc1cc(-c2ccn3c(Cc4ccc(Cl)cc4)nnc3c2)ccn1
InChIInChI=1S/C22H18ClN7/c1-29-20(7-10-25-29)26-19-13-16(6-9-24-19)17-8-11-30-21(27-28-22(30)14-17)12-15-2-4-18(23)5-3-15/h2-11,13-14H,12H2,1H3,(H,24,26)
InChIKeyJHMNRAUJMPBOOO-UHFFFAOYSA-N
MW415.89 g/mol
LogP4.51
Rot. Bonds5

About 4-[3-[(4-chlorophenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridin-7-yl]-N-(2-methylpyrazol-3-yl)pyridin-2-amine

4-[3-[(4-chlorophenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridin-7-yl]-N-(2-methylpyrazol-3-yl)pyridin-2-amine (PubChem CID 118209474) has the molecular formula C22H18ClN7 and a molecular weight of 415.89 g/mol. Its IUPAC name is 4-[3-[(4-chlorophenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridin-7-yl]-N-(2-methylpyrazol-3-yl)pyridin-2-amine.

Molecular Properties

Compound Name4-[3-[(4-chlorophenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridin-7-yl]-N-(2-methylpyrazol-3-yl)pyridin-2-amine
PubChem CID118209474
Molecular FormulaC22H18ClN7
Molecular Weight415.89 g/mol
Exact Mass415.13
IUPAC Name4-[3-[(4-chlorophenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridin-7-yl]-N-(2-methylpyrazol-3-yl)pyridin-2-amine
SMILESCn1nccc1Nc1cc(-c2ccn3c(Cc4ccc(Cl)cc4)nnc3c2)ccn1
InChIInChI=1S/C22H18ClN7/c1-29-20(7-10-25-29)26-19-13-16(6-9-24-19)17-8-11-30-21(27-28-22(30)14-17)12-15-2-4-18(23)5-3-15/h2-11,13-14H,12H2,1H3,(H,24,26)
InChIKeyJHMNRAUJMPBOOO-UHFFFAOYSA-N
XLogP4.51
TPSA72.93 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.89
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[3-[(4-chlorophenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridin-7-yl]-N-(2-methylpyrazol-3-yl)pyridin-2-amine?
The IUPAC name of 4-[3-[(4-chlorophenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridin-7-yl]-N-(2-methylpyrazol-3-yl)pyridin-2-amine (CID 118209474) is 4-[3-[(4-chlorophenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridin-7-yl]-N-(2-methylpyrazol-3-yl)pyridin-2-amine.
What is the SMILES notation for 4-[3-[(4-chlorophenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridin-7-yl]-N-(2-methylpyrazol-3-yl)pyridin-2-amine?
The canonical SMILES for 4-[3-[(4-chlorophenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridin-7-yl]-N-(2-methylpyrazol-3-yl)pyridin-2-amine is Cn1nccc1Nc1cc(-c2ccn3c(Cc4ccc(Cl)cc4)nnc3c2)ccn1.
What is the InChIKey of 4-[3-[(4-chlorophenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridin-7-yl]-N-(2-methylpyrazol-3-yl)pyridin-2-amine?
The InChIKey is JHMNRAUJMPBOOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18ClN7/c1-29-20(7-10-25-29)26-19-13-16(6-9-24-19)17-8-11-30-21(27-28-22(30)14-17)12-15-2-4-18(23)5-3-15/h2-11,13-14H,12H2,1H3,(H,24,26).
What are the key properties of 4-[3-[(4-chlorophenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridin-7-yl]-N-(2-methylpyrazol-3-yl)pyridin-2-amine?
4-[3-[(4-chlorophenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridin-7-yl]-N-(2-methylpyrazol-3-yl)pyridin-2-amine has a molecular weight of 415.89 g/mol, XLogP of 4.51, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[(4-chlorophenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridin-7-yl]-N-(2-methylpyrazol-3-yl)pyridin-2-amine is sourced from PubChem (CID 118209474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).