(1R)-N-(1-methylisoquinolin-6-yl)-2-[4-(pyridin-2-ylsulfamoyl)phenyl]cyclopropane-1-carboxamide

C25H22N4O3S — CID 165436999

IUPAC(1R)-N-(1-methylisoquinolin-6-yl)-2-[4-(pyridin-2-ylsulfamoyl)phenyl]cyclopropane-1-carboxamide
SMILESCc1nccc2cc(NC(=O)[C@@H]3CC3c3ccc(S(=O)(=O)Nc4ccccn4)cc3)ccc12
InChIInChI=1S/C25H22N4O3S/c1-16-21-10-7-19(14-18(21)11-13-26-16)28-25(30)23-15-22(23)17-5-8-20(9-6-17)33(31,32)29-24-4-2-3-12-27-24/h2-14,22-23H,15H2,1H3,(H,27,29)(H,28,30)/t22?,23-/m1/s1
InChIKeyFPOUNMXAICPJAF-OZAIVSQSSA-N
MW458.54 g/mol
LogP4.48
Rot. Bonds6

About (1R)-N-(1-methylisoquinolin-6-yl)-2-[4-(pyridin-2-ylsulfamoyl)phenyl]cyclopropane-1-carboxamide

(1R)-N-(1-methylisoquinolin-6-yl)-2-[4-(pyridin-2-ylsulfamoyl)phenyl]cyclopropane-1-carboxamide (PubChem CID 165436999) has the molecular formula C25H22N4O3S and a molecular weight of 458.54 g/mol. Its IUPAC name is (1R)-N-(1-methylisoquinolin-6-yl)-2-[4-(pyridin-2-ylsulfamoyl)phenyl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Name(1R)-N-(1-methylisoquinolin-6-yl)-2-[4-(pyridin-2-ylsulfamoyl)phenyl]cyclopropane-1-carboxamide
PubChem CID165436999
Molecular FormulaC25H22N4O3S
Molecular Weight458.54 g/mol
Exact Mass458.14
IUPAC Name(1R)-N-(1-methylisoquinolin-6-yl)-2-[4-(pyridin-2-ylsulfamoyl)phenyl]cyclopropane-1-carboxamide
SMILESCc1nccc2cc(NC(=O)[C@@H]3CC3c3ccc(S(=O)(=O)Nc4ccccn4)cc3)ccc12
InChIInChI=1S/C25H22N4O3S/c1-16-21-10-7-19(14-18(21)11-13-26-16)28-25(30)23-15-22(23)17-5-8-20(9-6-17)33(31,32)29-24-4-2-3-12-27-24/h2-14,22-23H,15H2,1H3,(H,27,29)(H,28,30)/t22?,23-/m1/s1
InChIKeyFPOUNMXAICPJAF-OZAIVSQSSA-N
XLogP4.48
TPSA101.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.54
LogP ≤ 54.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (1R)-N-(1-methylisoquinolin-6-yl)-2-[4-(pyridin-2-ylsulfamoyl)phenyl]cyclopropane-1-carboxamide?
The IUPAC name of (1R)-N-(1-methylisoquinolin-6-yl)-2-[4-(pyridin-2-ylsulfamoyl)phenyl]cyclopropane-1-carboxamide (CID 165436999) is (1R)-N-(1-methylisoquinolin-6-yl)-2-[4-(pyridin-2-ylsulfamoyl)phenyl]cyclopropane-1-carboxamide.
What is the SMILES notation for (1R)-N-(1-methylisoquinolin-6-yl)-2-[4-(pyridin-2-ylsulfamoyl)phenyl]cyclopropane-1-carboxamide?
The canonical SMILES for (1R)-N-(1-methylisoquinolin-6-yl)-2-[4-(pyridin-2-ylsulfamoyl)phenyl]cyclopropane-1-carboxamide is Cc1nccc2cc(NC(=O)[C@@H]3CC3c3ccc(S(=O)(=O)Nc4ccccn4)cc3)ccc12.
What is the InChIKey of (1R)-N-(1-methylisoquinolin-6-yl)-2-[4-(pyridin-2-ylsulfamoyl)phenyl]cyclopropane-1-carboxamide?
The InChIKey is FPOUNMXAICPJAF-OZAIVSQSSA-N. The full InChI is InChI=1S/C25H22N4O3S/c1-16-21-10-7-19(14-18(21)11-13-26-16)28-25(30)23-15-22(23)17-5-8-20(9-6-17)33(31,32)29-24-4-2-3-12-27-24/h2-14,22-23H,15H2,1H3,(H,27,29)(H,28,30)/t22?,23-/m1/s1.
What are the key properties of (1R)-N-(1-methylisoquinolin-6-yl)-2-[4-(pyridin-2-ylsulfamoyl)phenyl]cyclopropane-1-carboxamide?
(1R)-N-(1-methylisoquinolin-6-yl)-2-[4-(pyridin-2-ylsulfamoyl)phenyl]cyclopropane-1-carboxamide has a molecular weight of 458.54 g/mol, XLogP of 4.48, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-N-(1-methylisoquinolin-6-yl)-2-[4-(pyridin-2-ylsulfamoyl)phenyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 165436999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).