N-[5-[1-[3-(cyanomethyl)-1-methylsulfonylazetidin-3-yl]pyrazol-4-yl]-[1,2,4]triazolo[1,5-c]pyrimidin-2-yl]cyclopropanecarboxamide

C18H19N9O3S — CID 122667442

IUPACN-[5-[1-[3-(cyanomethyl)-1-methylsulfonylazetidin-3-yl]pyrazol-4-yl]-[1,2,4]triazolo[1,5-c]pyrimidin-2-yl]cyclopropanecarboxamide
SMILESCS(=O)(=O)N1CC(CC#N)(n2cc(-c3nccc4nc(NC(=O)C5CC5)nn34)cn2)C1
InChIInChI=1S/C18H19N9O3S/c1-31(29,30)25-10-18(11-25,5-6-19)26-9-13(8-21-26)15-20-7-4-14-22-17(24-27(14)15)23-16(28)12-2-3-12/h4,7-9,12H,2-3,5,10-11H2,1H3,(H,23,24,28)
InChIKeyUHXXVTIFJPSVKW-UHFFFAOYSA-N
MW441.48 g/mol
LogP0.22
Rot. Bonds6

About N-[5-[1-[3-(cyanomethyl)-1-methylsulfonylazetidin-3-yl]pyrazol-4-yl]-[1,2,4]triazolo[1,5-c]pyrimidin-2-yl]cyclopropanecarboxamide

N-[5-[1-[3-(cyanomethyl)-1-methylsulfonylazetidin-3-yl]pyrazol-4-yl]-[1,2,4]triazolo[1,5-c]pyrimidin-2-yl]cyclopropanecarboxamide (PubChem CID 122667442) has the molecular formula C18H19N9O3S and a molecular weight of 441.48 g/mol. Its IUPAC name is N-[5-[1-[3-(cyanomethyl)-1-methylsulfonylazetidin-3-yl]pyrazol-4-yl]-[1,2,4]triazolo[1,5-c]pyrimidin-2-yl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[5-[1-[3-(cyanomethyl)-1-methylsulfonylazetidin-3-yl]pyrazol-4-yl]-[1,2,4]triazolo[1,5-c]pyrimidin-2-yl]cyclopropanecarboxamide
PubChem CID122667442
Molecular FormulaC18H19N9O3S
Molecular Weight441.48 g/mol
Exact Mass441.13
IUPAC NameN-[5-[1-[3-(cyanomethyl)-1-methylsulfonylazetidin-3-yl]pyrazol-4-yl]-[1,2,4]triazolo[1,5-c]pyrimidin-2-yl]cyclopropanecarboxamide
SMILESCS(=O)(=O)N1CC(CC#N)(n2cc(-c3nccc4nc(NC(=O)C5CC5)nn34)cn2)C1
InChIInChI=1S/C18H19N9O3S/c1-31(29,30)25-10-18(11-25,5-6-19)26-9-13(8-21-26)15-20-7-4-14-22-17(24-27(14)15)23-16(28)12-2-3-12/h4,7-9,12H,2-3,5,10-11H2,1H3,(H,23,24,28)
InChIKeyUHXXVTIFJPSVKW-UHFFFAOYSA-N
XLogP0.22
TPSA151.17 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.48
LogP ≤ 50.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Analyze N-[5-[1-[3-(cyanomethyl)-1-methylsulfonylazetidin-3-yl]pyrazol-4-yl]-[1,2,4]triazolo[1,5-c]pyrimidin-2-yl]cyclopropanecarboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[5-[1-[3-(cyanomethyl)-1-methylsulfonylazetidin-3-yl]pyrazol-4-yl]-[1,2,4]triazolo[1,5-c]pyrimidin-2-yl]cyclopropanecarboxamide?
The IUPAC name of N-[5-[1-[3-(cyanomethyl)-1-methylsulfonylazetidin-3-yl]pyrazol-4-yl]-[1,2,4]triazolo[1,5-c]pyrimidin-2-yl]cyclopropanecarboxamide (CID 122667442) is N-[5-[1-[3-(cyanomethyl)-1-methylsulfonylazetidin-3-yl]pyrazol-4-yl]-[1,2,4]triazolo[1,5-c]pyrimidin-2-yl]cyclopropanecarboxamide.
What is the SMILES notation for N-[5-[1-[3-(cyanomethyl)-1-methylsulfonylazetidin-3-yl]pyrazol-4-yl]-[1,2,4]triazolo[1,5-c]pyrimidin-2-yl]cyclopropanecarboxamide?
The canonical SMILES for N-[5-[1-[3-(cyanomethyl)-1-methylsulfonylazetidin-3-yl]pyrazol-4-yl]-[1,2,4]triazolo[1,5-c]pyrimidin-2-yl]cyclopropanecarboxamide is CS(=O)(=O)N1CC(CC#N)(n2cc(-c3nccc4nc(NC(=O)C5CC5)nn34)cn2)C1.
What is the InChIKey of N-[5-[1-[3-(cyanomethyl)-1-methylsulfonylazetidin-3-yl]pyrazol-4-yl]-[1,2,4]triazolo[1,5-c]pyrimidin-2-yl]cyclopropanecarboxamide?
The InChIKey is UHXXVTIFJPSVKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N9O3S/c1-31(29,30)25-10-18(11-25,5-6-19)26-9-13(8-21-26)15-20-7-4-14-22-17(24-27(14)15)23-16(28)12-2-3-12/h4,7-9,12H,2-3,5,10-11H2,1H3,(H,23,24,28).
What are the key properties of N-[5-[1-[3-(cyanomethyl)-1-methylsulfonylazetidin-3-yl]pyrazol-4-yl]-[1,2,4]triazolo[1,5-c]pyrimidin-2-yl]cyclopropanecarboxamide?
N-[5-[1-[3-(cyanomethyl)-1-methylsulfonylazetidin-3-yl]pyrazol-4-yl]-[1,2,4]triazolo[1,5-c]pyrimidin-2-yl]cyclopropanecarboxamide has a molecular weight of 441.48 g/mol, XLogP of 0.22, 6 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[1-[3-(cyanomethyl)-1-methylsulfonylazetidin-3-yl]pyrazol-4-yl]-[1,2,4]triazolo[1,5-c]pyrimidin-2-yl]cyclopropanecarboxamide is sourced from PubChem (CID 122667442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).