N-[5-[4-(pyridin-3-ylmethylsulfonyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide

C22H19N5O3S — CID 44625212

IUPACN-[5-[4-(pyridin-3-ylmethylsulfonyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide
SMILESO=C(Nc1nc2cccc(-c3ccc(S(=O)(=O)Cc4cccnc4)cc3)n2n1)C1CC1
InChIInChI=1S/C22H19N5O3S/c28-21(17-6-7-17)25-22-24-20-5-1-4-19(27(20)26-22)16-8-10-18(11-9-16)31(29,30)14-15-3-2-12-23-13-15/h1-5,8-13,17H,6-7,14H2,(H,25,26,28)
InChIKeyYJPHJIYVPBYMKH-UHFFFAOYSA-N
MW433.49 g/mol
LogP3.11
Rot. Bonds6

About N-[5-[4-(pyridin-3-ylmethylsulfonyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide

N-[5-[4-(pyridin-3-ylmethylsulfonyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide (PubChem CID 44625212) has the molecular formula C22H19N5O3S and a molecular weight of 433.49 g/mol. Its IUPAC name is N-[5-[4-(pyridin-3-ylmethylsulfonyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[5-[4-(pyridin-3-ylmethylsulfonyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide
PubChem CID44625212
Molecular FormulaC22H19N5O3S
Molecular Weight433.49 g/mol
Exact Mass433.12
IUPAC NameN-[5-[4-(pyridin-3-ylmethylsulfonyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide
SMILESO=C(Nc1nc2cccc(-c3ccc(S(=O)(=O)Cc4cccnc4)cc3)n2n1)C1CC1
InChIInChI=1S/C22H19N5O3S/c28-21(17-6-7-17)25-22-24-20-5-1-4-19(27(20)26-22)16-8-10-18(11-9-16)31(29,30)14-15-3-2-12-23-13-15/h1-5,8-13,17H,6-7,14H2,(H,25,26,28)
InChIKeyYJPHJIYVPBYMKH-UHFFFAOYSA-N
XLogP3.11
TPSA106.32 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.49
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[5-[4-(pyridin-3-ylmethylsulfonyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide?
The IUPAC name of N-[5-[4-(pyridin-3-ylmethylsulfonyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide (CID 44625212) is N-[5-[4-(pyridin-3-ylmethylsulfonyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide.
What is the SMILES notation for N-[5-[4-(pyridin-3-ylmethylsulfonyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide?
The canonical SMILES for N-[5-[4-(pyridin-3-ylmethylsulfonyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide is O=C(Nc1nc2cccc(-c3ccc(S(=O)(=O)Cc4cccnc4)cc3)n2n1)C1CC1.
What is the InChIKey of N-[5-[4-(pyridin-3-ylmethylsulfonyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide?
The InChIKey is YJPHJIYVPBYMKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N5O3S/c28-21(17-6-7-17)25-22-24-20-5-1-4-19(27(20)26-22)16-8-10-18(11-9-16)31(29,30)14-15-3-2-12-23-13-15/h1-5,8-13,17H,6-7,14H2,(H,25,26,28).
What are the key properties of N-[5-[4-(pyridin-3-ylmethylsulfonyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide?
N-[5-[4-(pyridin-3-ylmethylsulfonyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide has a molecular weight of 433.49 g/mol, XLogP of 3.11, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[4-(pyridin-3-ylmethylsulfonyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide is sourced from PubChem (CID 44625212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).