5-(4-methoxy-3,5-dimethylphenyl)-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine

C27H31N5O2 — CID 59589848

IUPAC5-(4-methoxy-3,5-dimethylphenyl)-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine
SMILESCOc1c(C)cc(-c2cccc3nc(Nc4ccc(OCCN5CCCC5)cc4)nn23)cc1C
InChIInChI=1S/C27H31N5O2/c1-19-17-21(18-20(2)26(19)33-3)24-7-6-8-25-29-27(30-32(24)25)28-22-9-11-23(12-10-22)34-16-15-31-13-4-5-14-31/h6-12,17-18H,4-5,13-16H2,1-3H3,(H,28,30)
InChIKeyJCBSYYSEIHYBAL-UHFFFAOYSA-N
MW457.58 g/mol
LogP5.24
Rot. Bonds8

About 5-(4-methoxy-3,5-dimethylphenyl)-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine

5-(4-methoxy-3,5-dimethylphenyl)-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine (PubChem CID 59589848) has the molecular formula C27H31N5O2 and a molecular weight of 457.58 g/mol. Its IUPAC name is 5-(4-methoxy-3,5-dimethylphenyl)-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine.

Molecular Properties

Compound Name5-(4-methoxy-3,5-dimethylphenyl)-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine
PubChem CID59589848
Molecular FormulaC27H31N5O2
Molecular Weight457.58 g/mol
Exact Mass457.25
IUPAC Name5-(4-methoxy-3,5-dimethylphenyl)-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine
SMILESCOc1c(C)cc(-c2cccc3nc(Nc4ccc(OCCN5CCCC5)cc4)nn23)cc1C
InChIInChI=1S/C27H31N5O2/c1-19-17-21(18-20(2)26(19)33-3)24-7-6-8-25-29-27(30-32(24)25)28-22-9-11-23(12-10-22)34-16-15-31-13-4-5-14-31/h6-12,17-18H,4-5,13-16H2,1-3H3,(H,28,30)
InChIKeyJCBSYYSEIHYBAL-UHFFFAOYSA-N
XLogP5.24
TPSA63.92 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500457.58
LogP ≤ 55.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 5-(4-methoxy-3,5-dimethylphenyl)-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-[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 5-(4-methoxy-3,5-dimethylphenyl)-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine?
The IUPAC name of 5-(4-methoxy-3,5-dimethylphenyl)-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine (CID 59589848) is 5-(4-methoxy-3,5-dimethylphenyl)-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine.
What is the SMILES notation for 5-(4-methoxy-3,5-dimethylphenyl)-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine?
The canonical SMILES for 5-(4-methoxy-3,5-dimethylphenyl)-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine is COc1c(C)cc(-c2cccc3nc(Nc4ccc(OCCN5CCCC5)cc4)nn23)cc1C.
What is the InChIKey of 5-(4-methoxy-3,5-dimethylphenyl)-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine?
The InChIKey is JCBSYYSEIHYBAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H31N5O2/c1-19-17-21(18-20(2)26(19)33-3)24-7-6-8-25-29-27(30-32(24)25)28-22-9-11-23(12-10-22)34-16-15-31-13-4-5-14-31/h6-12,17-18H,4-5,13-16H2,1-3H3,(H,28,30).
What are the key properties of 5-(4-methoxy-3,5-dimethylphenyl)-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine?
5-(4-methoxy-3,5-dimethylphenyl)-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine has a molecular weight of 457.58 g/mol, XLogP of 5.24, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methoxy-3,5-dimethylphenyl)-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine is sourced from PubChem (CID 59589848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).