1-[2-(dimethylamino)ethyl]-3-[6-[5-[(4-fluorophenyl)sulfonylamino]-6-methoxy-3-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]urea

C23H25FN8O4S — CID 122185266

IUPAC1-[2-(dimethylamino)ethyl]-3-[6-[5-[(4-fluorophenyl)sulfonylamino]-6-methoxy-3-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]urea
SMILESCOc1ncc(-c2ccc3nc(NC(=O)NCCN(C)C)nn3c2)cc1NS(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C23H25FN8O4S/c1-31(2)11-10-25-23(33)28-22-27-20-9-4-15(14-32(20)29-22)16-12-19(21(36-3)26-13-16)30-37(34,35)18-7-5-17(24)6-8-18/h4-9,12-14,30H,10-11H2,1-3H3,(H2,25,28,29,33)
InChIKeyKYFUXWQWFUDCNB-UHFFFAOYSA-N
MW528.57 g/mol
LogP2.42
Rot. Bonds9

About 1-[2-(dimethylamino)ethyl]-3-[6-[5-[(4-fluorophenyl)sulfonylamino]-6-methoxy-3-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]urea

1-[2-(dimethylamino)ethyl]-3-[6-[5-[(4-fluorophenyl)sulfonylamino]-6-methoxy-3-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]urea (PubChem CID 122185266) has the molecular formula C23H25FN8O4S and a molecular weight of 528.57 g/mol. Its IUPAC name is 1-[2-(dimethylamino)ethyl]-3-[6-[5-[(4-fluorophenyl)sulfonylamino]-6-methoxy-3-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]urea.

Molecular Properties

Compound Name1-[2-(dimethylamino)ethyl]-3-[6-[5-[(4-fluorophenyl)sulfonylamino]-6-methoxy-3-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]urea
PubChem CID122185266
Molecular FormulaC23H25FN8O4S
Molecular Weight528.57 g/mol
Exact Mass528.17
IUPAC Name1-[2-(dimethylamino)ethyl]-3-[6-[5-[(4-fluorophenyl)sulfonylamino]-6-methoxy-3-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]urea
SMILESCOc1ncc(-c2ccc3nc(NC(=O)NCCN(C)C)nn3c2)cc1NS(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C23H25FN8O4S/c1-31(2)11-10-25-23(33)28-22-27-20-9-4-15(14-32(20)29-22)16-12-19(21(36-3)26-13-16)30-37(34,35)18-7-5-17(24)6-8-18/h4-9,12-14,30H,10-11H2,1-3H3,(H2,25,28,29,33)
InChIKeyKYFUXWQWFUDCNB-UHFFFAOYSA-N
XLogP2.42
TPSA142.85 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500528.57
LogP ≤ 52.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Analyze 1-[2-(dimethylamino)ethyl]-3-[6-[5-[(4-fluorophenyl)sulfonylamino]-6-methoxy-3-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

CID 44530411
CID 44530411
CID 155515434
CID 155515434
CID 155540424
CID 155540424
CID 155548197
CID 155548197
CID 44530410
CID 44530410
CID 71041787
CID 71041787
CID 71042059
CID 71042059
CID 71042061
CID 71042061
CID 71042081
CID 71042081
CID 72375901
CID 72375901
CID 134201249
CID 134201249
CID 72375902
CID 72375902

Frequently Asked Questions

What is the IUPAC name of 1-[2-(dimethylamino)ethyl]-3-[6-[5-[(4-fluorophenyl)sulfonylamino]-6-methoxy-3-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]urea?
The IUPAC name of 1-[2-(dimethylamino)ethyl]-3-[6-[5-[(4-fluorophenyl)sulfonylamino]-6-methoxy-3-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]urea (CID 122185266) is 1-[2-(dimethylamino)ethyl]-3-[6-[5-[(4-fluorophenyl)sulfonylamino]-6-methoxy-3-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]urea.
What is the SMILES notation for 1-[2-(dimethylamino)ethyl]-3-[6-[5-[(4-fluorophenyl)sulfonylamino]-6-methoxy-3-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]urea?
The canonical SMILES for 1-[2-(dimethylamino)ethyl]-3-[6-[5-[(4-fluorophenyl)sulfonylamino]-6-methoxy-3-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]urea is COc1ncc(-c2ccc3nc(NC(=O)NCCN(C)C)nn3c2)cc1NS(=O)(=O)c1ccc(F)cc1.
What is the InChIKey of 1-[2-(dimethylamino)ethyl]-3-[6-[5-[(4-fluorophenyl)sulfonylamino]-6-methoxy-3-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]urea?
The InChIKey is KYFUXWQWFUDCNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25FN8O4S/c1-31(2)11-10-25-23(33)28-22-27-20-9-4-15(14-32(20)29-22)16-12-19(21(36-3)26-13-16)30-37(34,35)18-7-5-17(24)6-8-18/h4-9,12-14,30H,10-11H2,1-3H3,(H2,25,28,29,33).
What are the key properties of 1-[2-(dimethylamino)ethyl]-3-[6-[5-[(4-fluorophenyl)sulfonylamino]-6-methoxy-3-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]urea?
1-[2-(dimethylamino)ethyl]-3-[6-[5-[(4-fluorophenyl)sulfonylamino]-6-methoxy-3-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]urea has a molecular weight of 528.57 g/mol, XLogP of 2.42, 9 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(dimethylamino)ethyl]-3-[6-[5-[(4-fluorophenyl)sulfonylamino]-6-methoxy-3-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]urea is sourced from PubChem (CID 122185266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).