1-[6-[5-(propan-2-ylsulfamoyl)-3-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-3-propylurea

C18H23N7O3S — CID 67810934

IUPAC1-[6-[5-(propan-2-ylsulfamoyl)-3-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-3-propylurea
SMILESCCCNC(=O)Nc1nc2ccc(-c3cncc(S(=O)(=O)NC(C)C)c3)cn2n1
InChIInChI=1S/C18H23N7O3S/c1-4-7-20-18(26)22-17-21-16-6-5-13(11-25(16)23-17)14-8-15(10-19-9-14)29(27,28)24-12(2)3/h5-6,8-12,24H,4,7H2,1-3H3,(H2,20,22,23,26)
InChIKeyWPEFAFIHEPLSNY-UHFFFAOYSA-N
MW417.50 g/mol
LogP2.01
Rot. Bonds7

About 1-[6-[5-(propan-2-ylsulfamoyl)-3-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-3-propylurea

1-[6-[5-(propan-2-ylsulfamoyl)-3-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-3-propylurea (PubChem CID 67810934) has the molecular formula C18H23N7O3S and a molecular weight of 417.50 g/mol. Its IUPAC name is 1-[6-[5-(propan-2-ylsulfamoyl)-3-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-3-propylurea.

Molecular Properties

Compound Name1-[6-[5-(propan-2-ylsulfamoyl)-3-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-3-propylurea
PubChem CID67810934
Molecular FormulaC18H23N7O3S
Molecular Weight417.50 g/mol
Exact Mass417.16
IUPAC Name1-[6-[5-(propan-2-ylsulfamoyl)-3-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-3-propylurea
SMILESCCCNC(=O)Nc1nc2ccc(-c3cncc(S(=O)(=O)NC(C)C)c3)cn2n1
InChIInChI=1S/C18H23N7O3S/c1-4-7-20-18(26)22-17-21-16-6-5-13(11-25(16)23-17)14-8-15(10-19-9-14)29(27,28)24-12(2)3/h5-6,8-12,24H,4,7H2,1-3H3,(H2,20,22,23,26)
InChIKeyWPEFAFIHEPLSNY-UHFFFAOYSA-N
XLogP2.01
TPSA130.38 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.50
LogP ≤ 52.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-[6-[5-(propan-2-ylsulfamoyl)-3-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-3-propylurea?
The IUPAC name of 1-[6-[5-(propan-2-ylsulfamoyl)-3-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-3-propylurea (CID 67810934) is 1-[6-[5-(propan-2-ylsulfamoyl)-3-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-3-propylurea.
What is the SMILES notation for 1-[6-[5-(propan-2-ylsulfamoyl)-3-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-3-propylurea?
The canonical SMILES for 1-[6-[5-(propan-2-ylsulfamoyl)-3-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-3-propylurea is CCCNC(=O)Nc1nc2ccc(-c3cncc(S(=O)(=O)NC(C)C)c3)cn2n1.
What is the InChIKey of 1-[6-[5-(propan-2-ylsulfamoyl)-3-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-3-propylurea?
The InChIKey is WPEFAFIHEPLSNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N7O3S/c1-4-7-20-18(26)22-17-21-16-6-5-13(11-25(16)23-17)14-8-15(10-19-9-14)29(27,28)24-12(2)3/h5-6,8-12,24H,4,7H2,1-3H3,(H2,20,22,23,26).
What are the key properties of 1-[6-[5-(propan-2-ylsulfamoyl)-3-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-3-propylurea?
1-[6-[5-(propan-2-ylsulfamoyl)-3-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-3-propylurea has a molecular weight of 417.50 g/mol, XLogP of 2.01, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-[5-(propan-2-ylsulfamoyl)-3-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-3-propylurea is sourced from PubChem (CID 67810934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).