5-[3-[(4-methyl-1,3-thiazol-5-yl)methylamino]phenyl]-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine

C29H31N7OS — CID 59589712

IUPAC5-[3-[(4-methyl-1,3-thiazol-5-yl)methylamino]phenyl]-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine
SMILESCc1ncsc1CNc1cccc(-c2cccc3nc(Nc4ccc(OCCN5CCCC5)cc4)nn23)c1
InChIInChI=1S/C29H31N7OS/c1-21-27(38-20-31-21)19-30-24-7-4-6-22(18-24)26-8-5-9-28-33-29(34-36(26)28)32-23-10-12-25(13-11-23)37-17-16-35-14-2-3-15-35/h4-13,18,20,30H,2-3,14-17,19H2,1H3,(H,32,34)
InChIKeyXOLUWSVOGMVKEO-UHFFFAOYSA-N
MW525.68 g/mol
LogP5.99
Rot. Bonds10

About 5-[3-[(4-methyl-1,3-thiazol-5-yl)methylamino]phenyl]-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine

5-[3-[(4-methyl-1,3-thiazol-5-yl)methylamino]phenyl]-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine (PubChem CID 59589712) has the molecular formula C29H31N7OS and a molecular weight of 525.68 g/mol. Its IUPAC name is 5-[3-[(4-methyl-1,3-thiazol-5-yl)methylamino]phenyl]-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine.

Molecular Properties

Compound Name5-[3-[(4-methyl-1,3-thiazol-5-yl)methylamino]phenyl]-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine
PubChem CID59589712
Molecular FormulaC29H31N7OS
Molecular Weight525.68 g/mol
Exact Mass525.23
IUPAC Name5-[3-[(4-methyl-1,3-thiazol-5-yl)methylamino]phenyl]-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine
SMILESCc1ncsc1CNc1cccc(-c2cccc3nc(Nc4ccc(OCCN5CCCC5)cc4)nn23)c1
InChIInChI=1S/C29H31N7OS/c1-21-27(38-20-31-21)19-30-24-7-4-6-22(18-24)26-8-5-9-28-33-29(34-36(26)28)32-23-10-12-25(13-11-23)37-17-16-35-14-2-3-15-35/h4-13,18,20,30H,2-3,14-17,19H2,1H3,(H,32,34)
InChIKeyXOLUWSVOGMVKEO-UHFFFAOYSA-N
XLogP5.99
TPSA79.61 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds10
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500525.68
LogP ≤ 55.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze 5-[3-[(4-methyl-1,3-thiazol-5-yl)methylamino]phenyl]-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-[3-[(4-methyl-1,3-thiazol-5-yl)methylamino]phenyl]-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine?
The IUPAC name of 5-[3-[(4-methyl-1,3-thiazol-5-yl)methylamino]phenyl]-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine (CID 59589712) is 5-[3-[(4-methyl-1,3-thiazol-5-yl)methylamino]phenyl]-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine.
What is the SMILES notation for 5-[3-[(4-methyl-1,3-thiazol-5-yl)methylamino]phenyl]-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine?
The canonical SMILES for 5-[3-[(4-methyl-1,3-thiazol-5-yl)methylamino]phenyl]-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine is Cc1ncsc1CNc1cccc(-c2cccc3nc(Nc4ccc(OCCN5CCCC5)cc4)nn23)c1.
What is the InChIKey of 5-[3-[(4-methyl-1,3-thiazol-5-yl)methylamino]phenyl]-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine?
The InChIKey is XOLUWSVOGMVKEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H31N7OS/c1-21-27(38-20-31-21)19-30-24-7-4-6-22(18-24)26-8-5-9-28-33-29(34-36(26)28)32-23-10-12-25(13-11-23)37-17-16-35-14-2-3-15-35/h4-13,18,20,30H,2-3,14-17,19H2,1H3,(H,32,34).
What are the key properties of 5-[3-[(4-methyl-1,3-thiazol-5-yl)methylamino]phenyl]-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine?
5-[3-[(4-methyl-1,3-thiazol-5-yl)methylamino]phenyl]-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine has a molecular weight of 525.68 g/mol, XLogP of 5.99, 10 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-[(4-methyl-1,3-thiazol-5-yl)methylamino]phenyl]-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine is sourced from PubChem (CID 59589712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).