(1R)-2-[4-[(5-fluoro-2-pyridinyl)sulfamoyl]phenyl]-N-(4-methylisoquinolin-6-yl)cyclopropane-1-carboxamide

C25H21FN4O3S — CID 165437009

IUPAC(1R)-2-[4-[(5-fluoro-2-pyridinyl)sulfamoyl]phenyl]-N-(4-methylisoquinolin-6-yl)cyclopropane-1-carboxamide
SMILESCc1cncc2ccc(NC(=O)[C@@H]3CC3c3ccc(S(=O)(=O)Nc4ccc(F)cn4)cc3)cc12
InChIInChI=1S/C25H21FN4O3S/c1-15-12-27-13-17-2-6-19(10-21(15)17)29-25(31)23-11-22(23)16-3-7-20(8-4-16)34(32,33)30-24-9-5-18(26)14-28-24/h2-10,12-14,22-23H,11H2,1H3,(H,28,30)(H,29,31)/t22?,23-/m1/s1
InChIKeyWIBJQYDYJUACSD-OZAIVSQSSA-N
MW476.53 g/mol
LogP4.62
Rot. Bonds6

About (1R)-2-[4-[(5-fluoro-2-pyridinyl)sulfamoyl]phenyl]-N-(4-methylisoquinolin-6-yl)cyclopropane-1-carboxamide

(1R)-2-[4-[(5-fluoro-2-pyridinyl)sulfamoyl]phenyl]-N-(4-methylisoquinolin-6-yl)cyclopropane-1-carboxamide (PubChem CID 165437009) has the molecular formula C25H21FN4O3S and a molecular weight of 476.53 g/mol. Its IUPAC name is (1R)-2-[4-[(5-fluoro-2-pyridinyl)sulfamoyl]phenyl]-N-(4-methylisoquinolin-6-yl)cyclopropane-1-carboxamide.

Molecular Properties

Compound Name(1R)-2-[4-[(5-fluoro-2-pyridinyl)sulfamoyl]phenyl]-N-(4-methylisoquinolin-6-yl)cyclopropane-1-carboxamide
PubChem CID165437009
Molecular FormulaC25H21FN4O3S
Molecular Weight476.53 g/mol
Exact Mass476.13
IUPAC Name(1R)-2-[4-[(5-fluoro-2-pyridinyl)sulfamoyl]phenyl]-N-(4-methylisoquinolin-6-yl)cyclopropane-1-carboxamide
SMILESCc1cncc2ccc(NC(=O)[C@@H]3CC3c3ccc(S(=O)(=O)Nc4ccc(F)cn4)cc3)cc12
InChIInChI=1S/C25H21FN4O3S/c1-15-12-27-13-17-2-6-19(10-21(15)17)29-25(31)23-11-22(23)16-3-7-20(8-4-16)34(32,33)30-24-9-5-18(26)14-28-24/h2-10,12-14,22-23H,11H2,1H3,(H,28,30)(H,29,31)/t22?,23-/m1/s1
InChIKeyWIBJQYDYJUACSD-OZAIVSQSSA-N
XLogP4.62
TPSA101.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.53
LogP ≤ 54.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (1R)-2-[4-[(5-fluoro-2-pyridinyl)sulfamoyl]phenyl]-N-(4-methylisoquinolin-6-yl)cyclopropane-1-carboxamide?
The IUPAC name of (1R)-2-[4-[(5-fluoro-2-pyridinyl)sulfamoyl]phenyl]-N-(4-methylisoquinolin-6-yl)cyclopropane-1-carboxamide (CID 165437009) is (1R)-2-[4-[(5-fluoro-2-pyridinyl)sulfamoyl]phenyl]-N-(4-methylisoquinolin-6-yl)cyclopropane-1-carboxamide.
What is the SMILES notation for (1R)-2-[4-[(5-fluoro-2-pyridinyl)sulfamoyl]phenyl]-N-(4-methylisoquinolin-6-yl)cyclopropane-1-carboxamide?
The canonical SMILES for (1R)-2-[4-[(5-fluoro-2-pyridinyl)sulfamoyl]phenyl]-N-(4-methylisoquinolin-6-yl)cyclopropane-1-carboxamide is Cc1cncc2ccc(NC(=O)[C@@H]3CC3c3ccc(S(=O)(=O)Nc4ccc(F)cn4)cc3)cc12.
What is the InChIKey of (1R)-2-[4-[(5-fluoro-2-pyridinyl)sulfamoyl]phenyl]-N-(4-methylisoquinolin-6-yl)cyclopropane-1-carboxamide?
The InChIKey is WIBJQYDYJUACSD-OZAIVSQSSA-N. The full InChI is InChI=1S/C25H21FN4O3S/c1-15-12-27-13-17-2-6-19(10-21(15)17)29-25(31)23-11-22(23)16-3-7-20(8-4-16)34(32,33)30-24-9-5-18(26)14-28-24/h2-10,12-14,22-23H,11H2,1H3,(H,28,30)(H,29,31)/t22?,23-/m1/s1.
What are the key properties of (1R)-2-[4-[(5-fluoro-2-pyridinyl)sulfamoyl]phenyl]-N-(4-methylisoquinolin-6-yl)cyclopropane-1-carboxamide?
(1R)-2-[4-[(5-fluoro-2-pyridinyl)sulfamoyl]phenyl]-N-(4-methylisoquinolin-6-yl)cyclopropane-1-carboxamide has a molecular weight of 476.53 g/mol, XLogP of 4.62, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-2-[4-[(5-fluoro-2-pyridinyl)sulfamoyl]phenyl]-N-(4-methylisoquinolin-6-yl)cyclopropane-1-carboxamide is sourced from PubChem (CID 165437009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).