N-[5-[4-[[4-(2-oxopyrrolidin-1-yl)phenyl]methylsulfonylamino]piperidin-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide

C26H31N7O4S — CID 90844562

IUPACN-[5-[4-[[4-(2-oxopyrrolidin-1-yl)phenyl]methylsulfonylamino]piperidin-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide
SMILESO=C(Nc1nc2cccc(N3CCC(NS(=O)(=O)Cc4ccc(N5CCCC5=O)cc4)CC3)n2n1)C1CC1
InChIInChI=1S/C26H31N7O4S/c34-24-5-2-14-32(24)21-10-6-18(7-11-21)17-38(36,37)30-20-12-15-31(16-13-20)23-4-1-3-22-27-26(29-33(22)23)28-25(35)19-8-9-19/h1,3-4,6-7,10-11,19-20,30H,2,5,8-9,12-17H2,(H,28,29,35)
InChIKeyIZLVDOAIWKSTMD-UHFFFAOYSA-N
MW537.65 g/mol
LogP2.29
Rot. Bonds8

About N-[5-[4-[[4-(2-oxopyrrolidin-1-yl)phenyl]methylsulfonylamino]piperidin-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide

N-[5-[4-[[4-(2-oxopyrrolidin-1-yl)phenyl]methylsulfonylamino]piperidin-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide (PubChem CID 90844562) has the molecular formula C26H31N7O4S and a molecular weight of 537.65 g/mol. Its IUPAC name is N-[5-[4-[[4-(2-oxopyrrolidin-1-yl)phenyl]methylsulfonylamino]piperidin-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[5-[4-[[4-(2-oxopyrrolidin-1-yl)phenyl]methylsulfonylamino]piperidin-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide
PubChem CID90844562
Molecular FormulaC26H31N7O4S
Molecular Weight537.65 g/mol
Exact Mass537.22
IUPAC NameN-[5-[4-[[4-(2-oxopyrrolidin-1-yl)phenyl]methylsulfonylamino]piperidin-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide
SMILESO=C(Nc1nc2cccc(N3CCC(NS(=O)(=O)Cc4ccc(N5CCCC5=O)cc4)CC3)n2n1)C1CC1
InChIInChI=1S/C26H31N7O4S/c34-24-5-2-14-32(24)21-10-6-18(7-11-21)17-38(36,37)30-20-12-15-31(16-13-20)23-4-1-3-22-27-26(29-33(22)23)28-25(35)19-8-9-19/h1,3-4,6-7,10-11,19-20,30H,2,5,8-9,12-17H2,(H,28,29,35)
InChIKeyIZLVDOAIWKSTMD-UHFFFAOYSA-N
XLogP2.29
TPSA129.01 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500537.65
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze N-[5-[4-[[4-(2-oxopyrrolidin-1-yl)phenyl]methylsulfonylamino]piperidin-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[5-[4-[[4-(2-oxopyrrolidin-1-yl)phenyl]methylsulfonylamino]piperidin-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide?
The IUPAC name of N-[5-[4-[[4-(2-oxopyrrolidin-1-yl)phenyl]methylsulfonylamino]piperidin-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide (CID 90844562) is N-[5-[4-[[4-(2-oxopyrrolidin-1-yl)phenyl]methylsulfonylamino]piperidin-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide.
What is the SMILES notation for N-[5-[4-[[4-(2-oxopyrrolidin-1-yl)phenyl]methylsulfonylamino]piperidin-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide?
The canonical SMILES for N-[5-[4-[[4-(2-oxopyrrolidin-1-yl)phenyl]methylsulfonylamino]piperidin-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide is O=C(Nc1nc2cccc(N3CCC(NS(=O)(=O)Cc4ccc(N5CCCC5=O)cc4)CC3)n2n1)C1CC1.
What is the InChIKey of N-[5-[4-[[4-(2-oxopyrrolidin-1-yl)phenyl]methylsulfonylamino]piperidin-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide?
The InChIKey is IZLVDOAIWKSTMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31N7O4S/c34-24-5-2-14-32(24)21-10-6-18(7-11-21)17-38(36,37)30-20-12-15-31(16-13-20)23-4-1-3-22-27-26(29-33(22)23)28-25(35)19-8-9-19/h1,3-4,6-7,10-11,19-20,30H,2,5,8-9,12-17H2,(H,28,29,35).
What are the key properties of N-[5-[4-[[4-(2-oxopyrrolidin-1-yl)phenyl]methylsulfonylamino]piperidin-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide?
N-[5-[4-[[4-(2-oxopyrrolidin-1-yl)phenyl]methylsulfonylamino]piperidin-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide has a molecular weight of 537.65 g/mol, XLogP of 2.29, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[4-[[4-(2-oxopyrrolidin-1-yl)phenyl]methylsulfonylamino]piperidin-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide is sourced from PubChem (CID 90844562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).