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

C20H18FN7O4S — CID 122185263

IUPAC1-[6-[5-[(4-fluorophenyl)sulfonylamino]-6-methoxy-3-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-3-methylurea
SMILESCNC(=O)Nc1nc2ccc(-c3cnc(OC)c(NS(=O)(=O)c4ccc(F)cc4)c3)cn2n1
InChIInChI=1S/C20H18FN7O4S/c1-22-20(29)25-19-24-17-8-3-12(11-28(17)26-19)13-9-16(18(32-2)23-10-13)27-33(30,31)15-6-4-14(21)5-7-15/h3-11,27H,1-2H3,(H2,22,25,26,29)
InChIKeyMAJONJHMOFHAJV-UHFFFAOYSA-N
MW471.47 g/mol
LogP2.49
Rot. Bonds6

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

1-[6-[5-[(4-fluorophenyl)sulfonylamino]-6-methoxy-3-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-3-methylurea (PubChem CID 122185263) has the molecular formula C20H18FN7O4S and a molecular weight of 471.47 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-methylurea.

Molecular Properties

Compound Name1-[6-[5-[(4-fluorophenyl)sulfonylamino]-6-methoxy-3-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-3-methylurea
PubChem CID122185263
Molecular FormulaC20H18FN7O4S
Molecular Weight471.47 g/mol
Exact Mass471.11
IUPAC Name1-[6-[5-[(4-fluorophenyl)sulfonylamino]-6-methoxy-3-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-3-methylurea
SMILESCNC(=O)Nc1nc2ccc(-c3cnc(OC)c(NS(=O)(=O)c4ccc(F)cc4)c3)cn2n1
InChIInChI=1S/C20H18FN7O4S/c1-22-20(29)25-19-24-17-8-3-12(11-28(17)26-19)13-9-16(18(32-2)23-10-13)27-33(30,31)15-6-4-14(21)5-7-15/h3-11,27H,1-2H3,(H2,22,25,26,29)
InChIKeyMAJONJHMOFHAJV-UHFFFAOYSA-N
XLogP2.49
TPSA139.61 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.47
LogP ≤ 52.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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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-methylurea?
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-methylurea (CID 122185263) is 1-[6-[5-[(4-fluorophenyl)sulfonylamino]-6-methoxy-3-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-3-methylurea.
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-methylurea?
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-methylurea is CNC(=O)Nc1nc2ccc(-c3cnc(OC)c(NS(=O)(=O)c4ccc(F)cc4)c3)cn2n1.
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-methylurea?
The InChIKey is MAJONJHMOFHAJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18FN7O4S/c1-22-20(29)25-19-24-17-8-3-12(11-28(17)26-19)13-9-16(18(32-2)23-10-13)27-33(30,31)15-6-4-14(21)5-7-15/h3-11,27H,1-2H3,(H2,22,25,26,29).
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-methylurea?
1-[6-[5-[(4-fluorophenyl)sulfonylamino]-6-methoxy-3-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-3-methylurea has a molecular weight of 471.47 g/mol, XLogP of 2.49, 6 rotatable bonds, 3 hydrogen bond donors, and 8 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-methylurea is sourced from PubChem (CID 122185263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).