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

C25H27FN8O5S — CID 122185268

IUPAC1-[6-[5-[(4-fluorophenyl)sulfonylamino]-6-methoxy-3-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-3-(2-morpholin-4-ylethyl)urea
SMILESCOc1ncc(-c2ccc3nc(NC(=O)NCCN4CCOCC4)nn3c2)cc1NS(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C25H27FN8O5S/c1-38-23-21(32-40(36,37)20-5-3-19(26)4-6-20)14-18(15-28-23)17-2-7-22-29-24(31-34(22)16-17)30-25(35)27-8-9-33-10-12-39-13-11-33/h2-7,14-16,32H,8-13H2,1H3,(H2,27,30,31,35)
InChIKeyDIJARPLLNQUOIO-UHFFFAOYSA-N
MW570.61 g/mol
LogP2.19
Rot. Bonds9

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

1-[6-[5-[(4-fluorophenyl)sulfonylamino]-6-methoxy-3-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-3-(2-morpholin-4-ylethyl)urea (PubChem CID 122185268) has the molecular formula C25H27FN8O5S and a molecular weight of 570.61 g/mol. Its IUPAC name is 1-[6-[5-[(4-fluorophenyl)sulfonylamino]-6-methoxy-3-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-3-(2-morpholin-4-ylethyl)urea.

Molecular Properties

Compound Name1-[6-[5-[(4-fluorophenyl)sulfonylamino]-6-methoxy-3-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-3-(2-morpholin-4-ylethyl)urea
PubChem CID122185268
Molecular FormulaC25H27FN8O5S
Molecular Weight570.61 g/mol
Exact Mass570.18
IUPAC Name1-[6-[5-[(4-fluorophenyl)sulfonylamino]-6-methoxy-3-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-3-(2-morpholin-4-ylethyl)urea
SMILESCOc1ncc(-c2ccc3nc(NC(=O)NCCN4CCOCC4)nn3c2)cc1NS(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C25H27FN8O5S/c1-38-23-21(32-40(36,37)20-5-3-19(26)4-6-20)14-18(15-28-23)17-2-7-22-29-24(31-34(22)16-17)30-25(35)27-8-9-33-10-12-39-13-11-33/h2-7,14-16,32H,8-13H2,1H3,(H2,27,30,31,35)
InChIKeyDIJARPLLNQUOIO-UHFFFAOYSA-N
XLogP2.19
TPSA152.08 Ų
H-Bond Donors3
H-Bond Acceptors10
Rotatable Bonds9
Heavy Atoms40
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500570.61
LogP ≤ 52.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1010

Analyze 1-[6-[5-[(4-fluorophenyl)sulfonylamino]-6-methoxy-3-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-3-(2-morpholin-4-ylethyl)urea 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 1-[6-[5-[(4-fluorophenyl)sulfonylamino]-6-methoxy-3-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-3-(2-morpholin-4-ylethyl)urea?
The IUPAC name of 1-[6-[5-[(4-fluorophenyl)sulfonylamino]-6-methoxy-3-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-3-(2-morpholin-4-ylethyl)urea (CID 122185268) is 1-[6-[5-[(4-fluorophenyl)sulfonylamino]-6-methoxy-3-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-3-(2-morpholin-4-ylethyl)urea.
What is the SMILES notation for 1-[6-[5-[(4-fluorophenyl)sulfonylamino]-6-methoxy-3-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-3-(2-morpholin-4-ylethyl)urea?
The canonical SMILES for 1-[6-[5-[(4-fluorophenyl)sulfonylamino]-6-methoxy-3-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-3-(2-morpholin-4-ylethyl)urea is COc1ncc(-c2ccc3nc(NC(=O)NCCN4CCOCC4)nn3c2)cc1NS(=O)(=O)c1ccc(F)cc1.
What is the InChIKey of 1-[6-[5-[(4-fluorophenyl)sulfonylamino]-6-methoxy-3-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-3-(2-morpholin-4-ylethyl)urea?
The InChIKey is DIJARPLLNQUOIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27FN8O5S/c1-38-23-21(32-40(36,37)20-5-3-19(26)4-6-20)14-18(15-28-23)17-2-7-22-29-24(31-34(22)16-17)30-25(35)27-8-9-33-10-12-39-13-11-33/h2-7,14-16,32H,8-13H2,1H3,(H2,27,30,31,35).
What are the key properties of 1-[6-[5-[(4-fluorophenyl)sulfonylamino]-6-methoxy-3-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-3-(2-morpholin-4-ylethyl)urea?
1-[6-[5-[(4-fluorophenyl)sulfonylamino]-6-methoxy-3-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-3-(2-morpholin-4-ylethyl)urea has a molecular weight of 570.61 g/mol, XLogP of 2.19, 9 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-[5-[(4-fluorophenyl)sulfonylamino]-6-methoxy-3-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-3-(2-morpholin-4-ylethyl)urea is sourced from PubChem (CID 122185268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).