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

C24H20FN5O3S — CID 146478001

IUPAC(1R)-2-[4-[(5-fluoropyrimidin-2-yl)sulfamoyl]phenyl]-N-(4-methylisoquinolin-6-yl)cyclopropane-1-carboxamide
SMILESCc1cncc2ccc(NC(=O)[C@@H]3CC3c3ccc(S(=O)(=O)Nc4ncc(F)cn4)cc3)cc12
InChIInChI=1S/C24H20FN5O3S/c1-14-10-26-11-16-2-5-18(8-20(14)16)29-23(31)22-9-21(22)15-3-6-19(7-4-15)34(32,33)30-24-27-12-17(25)13-28-24/h2-8,10-13,21-22H,9H2,1H3,(H,29,31)(H,27,28,30)/t21?,22-/m1/s1
InChIKeyDZDOYHVGPBMQIF-FOIFJWKZSA-N
MW477.52 g/mol
LogP4.02
Rot. Bonds6

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

(1R)-2-[4-[(5-fluoropyrimidin-2-yl)sulfamoyl]phenyl]-N-(4-methylisoquinolin-6-yl)cyclopropane-1-carboxamide (PubChem CID 146478001) has the molecular formula C24H20FN5O3S and a molecular weight of 477.52 g/mol. Its IUPAC name is (1R)-2-[4-[(5-fluoropyrimidin-2-yl)sulfamoyl]phenyl]-N-(4-methylisoquinolin-6-yl)cyclopropane-1-carboxamide.

Molecular Properties

Compound Name(1R)-2-[4-[(5-fluoropyrimidin-2-yl)sulfamoyl]phenyl]-N-(4-methylisoquinolin-6-yl)cyclopropane-1-carboxamide
PubChem CID146478001
Molecular FormulaC24H20FN5O3S
Molecular Weight477.52 g/mol
Exact Mass477.13
IUPAC Name(1R)-2-[4-[(5-fluoropyrimidin-2-yl)sulfamoyl]phenyl]-N-(4-methylisoquinolin-6-yl)cyclopropane-1-carboxamide
SMILESCc1cncc2ccc(NC(=O)[C@@H]3CC3c3ccc(S(=O)(=O)Nc4ncc(F)cn4)cc3)cc12
InChIInChI=1S/C24H20FN5O3S/c1-14-10-26-11-16-2-5-18(8-20(14)16)29-23(31)22-9-21(22)15-3-6-19(7-4-15)34(32,33)30-24-27-12-17(25)13-28-24/h2-8,10-13,21-22H,9H2,1H3,(H,29,31)(H,27,28,30)/t21?,22-/m1/s1
InChIKeyDZDOYHVGPBMQIF-FOIFJWKZSA-N
XLogP4.02
TPSA113.94 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.52
LogP ≤ 54.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (1R)-2-[4-[(5-fluoropyrimidin-2-yl)sulfamoyl]phenyl]-N-(4-methylisoquinolin-6-yl)cyclopropane-1-carboxamide?
The IUPAC name of (1R)-2-[4-[(5-fluoropyrimidin-2-yl)sulfamoyl]phenyl]-N-(4-methylisoquinolin-6-yl)cyclopropane-1-carboxamide (CID 146478001) is (1R)-2-[4-[(5-fluoropyrimidin-2-yl)sulfamoyl]phenyl]-N-(4-methylisoquinolin-6-yl)cyclopropane-1-carboxamide.
What is the SMILES notation for (1R)-2-[4-[(5-fluoropyrimidin-2-yl)sulfamoyl]phenyl]-N-(4-methylisoquinolin-6-yl)cyclopropane-1-carboxamide?
The canonical SMILES for (1R)-2-[4-[(5-fluoropyrimidin-2-yl)sulfamoyl]phenyl]-N-(4-methylisoquinolin-6-yl)cyclopropane-1-carboxamide is Cc1cncc2ccc(NC(=O)[C@@H]3CC3c3ccc(S(=O)(=O)Nc4ncc(F)cn4)cc3)cc12.
What is the InChIKey of (1R)-2-[4-[(5-fluoropyrimidin-2-yl)sulfamoyl]phenyl]-N-(4-methylisoquinolin-6-yl)cyclopropane-1-carboxamide?
The InChIKey is DZDOYHVGPBMQIF-FOIFJWKZSA-N. The full InChI is InChI=1S/C24H20FN5O3S/c1-14-10-26-11-16-2-5-18(8-20(14)16)29-23(31)22-9-21(22)15-3-6-19(7-4-15)34(32,33)30-24-27-12-17(25)13-28-24/h2-8,10-13,21-22H,9H2,1H3,(H,29,31)(H,27,28,30)/t21?,22-/m1/s1.
What are the key properties of (1R)-2-[4-[(5-fluoropyrimidin-2-yl)sulfamoyl]phenyl]-N-(4-methylisoquinolin-6-yl)cyclopropane-1-carboxamide?
(1R)-2-[4-[(5-fluoropyrimidin-2-yl)sulfamoyl]phenyl]-N-(4-methylisoquinolin-6-yl)cyclopropane-1-carboxamide has a molecular weight of 477.52 g/mol, XLogP of 4.02, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-2-[4-[(5-fluoropyrimidin-2-yl)sulfamoyl]phenyl]-N-(4-methylisoquinolin-6-yl)cyclopropane-1-carboxamide is sourced from PubChem (CID 146478001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).