(1R)-N-(5-fluoroisoquinolin-6-yl)-2-[4-(pyridin-2-ylsulfamoyl)phenyl]cyclopropane-1-carboxamide

C24H19FN4O3S — CID 142447068

IUPAC(1R)-N-(5-fluoroisoquinolin-6-yl)-2-[4-(pyridin-2-ylsulfamoyl)phenyl]cyclopropane-1-carboxamide
SMILESO=C(Nc1ccc2cnccc2c1F)[C@@H]1CC1c1ccc(S(=O)(=O)Nc2ccccn2)cc1
InChIInChI=1S/C24H19FN4O3S/c25-23-18-10-12-26-14-16(18)6-9-21(23)28-24(30)20-13-19(20)15-4-7-17(8-5-15)33(31,32)29-22-3-1-2-11-27-22/h1-12,14,19-20H,13H2,(H,27,29)(H,28,30)/t19?,20-/m1/s1
InChIKeyNVHVDZKSZLWUNH-GFOWMXPYSA-N
MW462.51 g/mol
LogP4.31
Rot. Bonds6

About (1R)-N-(5-fluoroisoquinolin-6-yl)-2-[4-(pyridin-2-ylsulfamoyl)phenyl]cyclopropane-1-carboxamide

(1R)-N-(5-fluoroisoquinolin-6-yl)-2-[4-(pyridin-2-ylsulfamoyl)phenyl]cyclopropane-1-carboxamide (PubChem CID 142447068) has the molecular formula C24H19FN4O3S and a molecular weight of 462.51 g/mol. Its IUPAC name is (1R)-N-(5-fluoroisoquinolin-6-yl)-2-[4-(pyridin-2-ylsulfamoyl)phenyl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Name(1R)-N-(5-fluoroisoquinolin-6-yl)-2-[4-(pyridin-2-ylsulfamoyl)phenyl]cyclopropane-1-carboxamide
PubChem CID142447068
Molecular FormulaC24H19FN4O3S
Molecular Weight462.51 g/mol
Exact Mass462.12
IUPAC Name(1R)-N-(5-fluoroisoquinolin-6-yl)-2-[4-(pyridin-2-ylsulfamoyl)phenyl]cyclopropane-1-carboxamide
SMILESO=C(Nc1ccc2cnccc2c1F)[C@@H]1CC1c1ccc(S(=O)(=O)Nc2ccccn2)cc1
InChIInChI=1S/C24H19FN4O3S/c25-23-18-10-12-26-14-16(18)6-9-21(23)28-24(30)20-13-19(20)15-4-7-17(8-5-15)33(31,32)29-22-3-1-2-11-27-22/h1-12,14,19-20H,13H2,(H,27,29)(H,28,30)/t19?,20-/m1/s1
InChIKeyNVHVDZKSZLWUNH-GFOWMXPYSA-N
XLogP4.31
TPSA101.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.51
LogP ≤ 54.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (1R)-N-(5-fluoroisoquinolin-6-yl)-2-[4-(pyridin-2-ylsulfamoyl)phenyl]cyclopropane-1-carboxamide?
The IUPAC name of (1R)-N-(5-fluoroisoquinolin-6-yl)-2-[4-(pyridin-2-ylsulfamoyl)phenyl]cyclopropane-1-carboxamide (CID 142447068) is (1R)-N-(5-fluoroisoquinolin-6-yl)-2-[4-(pyridin-2-ylsulfamoyl)phenyl]cyclopropane-1-carboxamide.
What is the SMILES notation for (1R)-N-(5-fluoroisoquinolin-6-yl)-2-[4-(pyridin-2-ylsulfamoyl)phenyl]cyclopropane-1-carboxamide?
The canonical SMILES for (1R)-N-(5-fluoroisoquinolin-6-yl)-2-[4-(pyridin-2-ylsulfamoyl)phenyl]cyclopropane-1-carboxamide is O=C(Nc1ccc2cnccc2c1F)[C@@H]1CC1c1ccc(S(=O)(=O)Nc2ccccn2)cc1.
What is the InChIKey of (1R)-N-(5-fluoroisoquinolin-6-yl)-2-[4-(pyridin-2-ylsulfamoyl)phenyl]cyclopropane-1-carboxamide?
The InChIKey is NVHVDZKSZLWUNH-GFOWMXPYSA-N. The full InChI is InChI=1S/C24H19FN4O3S/c25-23-18-10-12-26-14-16(18)6-9-21(23)28-24(30)20-13-19(20)15-4-7-17(8-5-15)33(31,32)29-22-3-1-2-11-27-22/h1-12,14,19-20H,13H2,(H,27,29)(H,28,30)/t19?,20-/m1/s1.
What are the key properties of (1R)-N-(5-fluoroisoquinolin-6-yl)-2-[4-(pyridin-2-ylsulfamoyl)phenyl]cyclopropane-1-carboxamide?
(1R)-N-(5-fluoroisoquinolin-6-yl)-2-[4-(pyridin-2-ylsulfamoyl)phenyl]cyclopropane-1-carboxamide has a molecular weight of 462.51 g/mol, XLogP of 4.31, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-N-(5-fluoroisoquinolin-6-yl)-2-[4-(pyridin-2-ylsulfamoyl)phenyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 142447068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).