N-[5-[4-[(4-propylphenyl)sulfonylamino]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide

C25H25N5O3S — CID 44626248

IUPACN-[5-[4-[(4-propylphenyl)sulfonylamino]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide
SMILESCCCc1ccc(S(=O)(=O)Nc2ccc(-c3cccc4nc(NC(=O)C5CC5)nn34)cc2)cc1
InChIInChI=1S/C25H25N5O3S/c1-2-4-17-7-15-21(16-8-17)34(32,33)29-20-13-11-18(12-14-20)22-5-3-6-23-26-25(28-30(22)23)27-24(31)19-9-10-19/h3,5-8,11-16,19,29H,2,4,9-10H2,1H3,(H,27,28,31)
InChIKeyHXVPLBMLKVEHIB-UHFFFAOYSA-N
MW475.57 g/mol
LogP4.50
Rot. Bonds8

About N-[5-[4-[(4-propylphenyl)sulfonylamino]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide

N-[5-[4-[(4-propylphenyl)sulfonylamino]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide (PubChem CID 44626248) has the molecular formula C25H25N5O3S and a molecular weight of 475.57 g/mol. Its IUPAC name is N-[5-[4-[(4-propylphenyl)sulfonylamino]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[5-[4-[(4-propylphenyl)sulfonylamino]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide
PubChem CID44626248
Molecular FormulaC25H25N5O3S
Molecular Weight475.57 g/mol
Exact Mass475.17
IUPAC NameN-[5-[4-[(4-propylphenyl)sulfonylamino]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide
SMILESCCCc1ccc(S(=O)(=O)Nc2ccc(-c3cccc4nc(NC(=O)C5CC5)nn34)cc2)cc1
InChIInChI=1S/C25H25N5O3S/c1-2-4-17-7-15-21(16-8-17)34(32,33)29-20-13-11-18(12-14-20)22-5-3-6-23-26-25(28-30(22)23)27-24(31)19-9-10-19/h3,5-8,11-16,19,29H,2,4,9-10H2,1H3,(H,27,28,31)
InChIKeyHXVPLBMLKVEHIB-UHFFFAOYSA-N
XLogP4.50
TPSA105.46 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.57
LogP ≤ 54.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

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N-[5-[4-(piperidin-1-ylmethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide
CID 58374651
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CID 138702520
N-[5-[4-(aminomethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide;cyclopropanecarboxylic acid
CID 172863039
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CID 24798484
N-[5-[4-[(3-butylazetidin-1-yl)methyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide
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CID 70822391
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CID 67331476
N-[5-(4-propan-2-yloxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide
CID 59589894
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CID 58374667
N-[5-[4-[[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]amino]methyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide
CID 58374731
N-[5-[4-[[3-[acetyl(methyl)amino]pyrrolidin-1-yl]methyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide
CID 58374654

Frequently Asked Questions

What is the IUPAC name of N-[5-[4-[(4-propylphenyl)sulfonylamino]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide?
The IUPAC name of N-[5-[4-[(4-propylphenyl)sulfonylamino]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide (CID 44626248) is N-[5-[4-[(4-propylphenyl)sulfonylamino]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide.
What is the SMILES notation for N-[5-[4-[(4-propylphenyl)sulfonylamino]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide?
The canonical SMILES for N-[5-[4-[(4-propylphenyl)sulfonylamino]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide is CCCc1ccc(S(=O)(=O)Nc2ccc(-c3cccc4nc(NC(=O)C5CC5)nn34)cc2)cc1.
What is the InChIKey of N-[5-[4-[(4-propylphenyl)sulfonylamino]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide?
The InChIKey is HXVPLBMLKVEHIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N5O3S/c1-2-4-17-7-15-21(16-8-17)34(32,33)29-20-13-11-18(12-14-20)22-5-3-6-23-26-25(28-30(22)23)27-24(31)19-9-10-19/h3,5-8,11-16,19,29H,2,4,9-10H2,1H3,(H,27,28,31).
What are the key properties of N-[5-[4-[(4-propylphenyl)sulfonylamino]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide?
N-[5-[4-[(4-propylphenyl)sulfonylamino]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide has a molecular weight of 475.57 g/mol, XLogP of 4.50, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[4-[(4-propylphenyl)sulfonylamino]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide is sourced from PubChem (CID 44626248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).