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

C26H29FN8O4S — CID 122185271

IUPAC1-[6-[5-[(4-fluorophenyl)sulfonylamino]-6-methoxy-3-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-3-(2-piperidin-1-ylethyl)urea
SMILESCOc1ncc(-c2ccc3nc(NC(=O)NCCN4CCCCC4)nn3c2)cc1NS(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C26H29FN8O4S/c1-39-24-22(33-40(37,38)21-8-6-20(27)7-9-21)15-19(16-29-24)18-5-10-23-30-25(32-35(23)17-18)31-26(36)28-11-14-34-12-3-2-4-13-34/h5-10,15-17,33H,2-4,11-14H2,1H3,(H2,28,31,32,36)
InChIKeyMZVYOYMCEXRORF-UHFFFAOYSA-N
MW568.64 g/mol
LogP3.35
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-piperidin-1-ylethyl)urea

1-[6-[5-[(4-fluorophenyl)sulfonylamino]-6-methoxy-3-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-3-(2-piperidin-1-ylethyl)urea (PubChem CID 122185271) has the molecular formula C26H29FN8O4S and a molecular weight of 568.64 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-piperidin-1-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-piperidin-1-ylethyl)urea
PubChem CID122185271
Molecular FormulaC26H29FN8O4S
Molecular Weight568.64 g/mol
Exact Mass568.20
IUPAC Name1-[6-[5-[(4-fluorophenyl)sulfonylamino]-6-methoxy-3-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-3-(2-piperidin-1-ylethyl)urea
SMILESCOc1ncc(-c2ccc3nc(NC(=O)NCCN4CCCCC4)nn3c2)cc1NS(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C26H29FN8O4S/c1-39-24-22(33-40(37,38)21-8-6-20(27)7-9-21)15-19(16-29-24)18-5-10-23-30-25(32-35(23)17-18)31-26(36)28-11-14-34-12-3-2-4-13-34/h5-10,15-17,33H,2-4,11-14H2,1H3,(H2,28,31,32,36)
InChIKeyMZVYOYMCEXRORF-UHFFFAOYSA-N
XLogP3.35
TPSA142.85 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms40
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500568.64
LogP ≤ 53.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

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

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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-piperidin-1-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-piperidin-1-ylethyl)urea (CID 122185271) is 1-[6-[5-[(4-fluorophenyl)sulfonylamino]-6-methoxy-3-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-3-(2-piperidin-1-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-piperidin-1-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-piperidin-1-ylethyl)urea is COc1ncc(-c2ccc3nc(NC(=O)NCCN4CCCCC4)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-piperidin-1-ylethyl)urea?
The InChIKey is MZVYOYMCEXRORF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29FN8O4S/c1-39-24-22(33-40(37,38)21-8-6-20(27)7-9-21)15-19(16-29-24)18-5-10-23-30-25(32-35(23)17-18)31-26(36)28-11-14-34-12-3-2-4-13-34/h5-10,15-17,33H,2-4,11-14H2,1H3,(H2,28,31,32,36).
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-piperidin-1-ylethyl)urea?
1-[6-[5-[(4-fluorophenyl)sulfonylamino]-6-methoxy-3-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-3-(2-piperidin-1-ylethyl)urea has a molecular weight of 568.64 g/mol, XLogP of 3.35, 9 rotatable bonds, 3 hydrogen bond donors, and 9 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-piperidin-1-ylethyl)urea is sourced from PubChem (CID 122185271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).