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

C22H22FN7O4S — CID 122185264

IUPAC1-[6-[5-[(4-fluorophenyl)sulfonylamino]-6-methoxy-3-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-3-propylurea
SMILESCCCNC(=O)Nc1nc2ccc(-c3cnc(OC)c(NS(=O)(=O)c4ccc(F)cc4)c3)cn2n1
InChIInChI=1S/C22H22FN7O4S/c1-3-10-24-22(31)27-21-26-19-9-4-14(13-30(19)28-21)15-11-18(20(34-2)25-12-15)29-35(32,33)17-7-5-16(23)6-8-17/h4-9,11-13,29H,3,10H2,1-2H3,(H2,24,27,28,31)
InChIKeyAMIXYWIQKYPHQE-UHFFFAOYSA-N
MW499.53 g/mol
LogP3.27
Rot. Bonds8

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

1-[6-[5-[(4-fluorophenyl)sulfonylamino]-6-methoxy-3-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-3-propylurea (PubChem CID 122185264) has the molecular formula C22H22FN7O4S and a molecular weight of 499.53 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-propylurea.

Molecular Properties

Compound Name1-[6-[5-[(4-fluorophenyl)sulfonylamino]-6-methoxy-3-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-3-propylurea
PubChem CID122185264
Molecular FormulaC22H22FN7O4S
Molecular Weight499.53 g/mol
Exact Mass499.14
IUPAC Name1-[6-[5-[(4-fluorophenyl)sulfonylamino]-6-methoxy-3-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-3-propylurea
SMILESCCCNC(=O)Nc1nc2ccc(-c3cnc(OC)c(NS(=O)(=O)c4ccc(F)cc4)c3)cn2n1
InChIInChI=1S/C22H22FN7O4S/c1-3-10-24-22(31)27-21-26-19-9-4-14(13-30(19)28-21)15-11-18(20(34-2)25-12-15)29-35(32,33)17-7-5-16(23)6-8-17/h4-9,11-13,29H,3,10H2,1-2H3,(H2,24,27,28,31)
InChIKeyAMIXYWIQKYPHQE-UHFFFAOYSA-N
XLogP3.27
TPSA139.61 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500499.53
LogP ≤ 53.27
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-propylurea?
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-propylurea (CID 122185264) is 1-[6-[5-[(4-fluorophenyl)sulfonylamino]-6-methoxy-3-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-3-propylurea.
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-propylurea?
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-propylurea is CCCNC(=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-propylurea?
The InChIKey is AMIXYWIQKYPHQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22FN7O4S/c1-3-10-24-22(31)27-21-26-19-9-4-14(13-30(19)28-21)15-11-18(20(34-2)25-12-15)29-35(32,33)17-7-5-16(23)6-8-17/h4-9,11-13,29H,3,10H2,1-2H3,(H2,24,27,28,31).
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-propylurea?
1-[6-[5-[(4-fluorophenyl)sulfonylamino]-6-methoxy-3-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-3-propylurea has a molecular weight of 499.53 g/mol, XLogP of 3.27, 8 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-propylurea is sourced from PubChem (CID 122185264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).