N-[4-[4-(1-methylpyrazol-4-yl)phenyl]isoquinolin-6-yl]cyclopropanesulfonamide

C22H20N4O2S — CID 118660739

IUPACN-[4-[4-(1-methylpyrazol-4-yl)phenyl]isoquinolin-6-yl]cyclopropanesulfonamide
SMILESCn1cc(-c2ccc(-c3cncc4ccc(NS(=O)(=O)C5CC5)cc34)cc2)cn1
InChIInChI=1S/C22H20N4O2S/c1-26-14-18(12-24-26)15-2-4-16(5-3-15)22-13-23-11-17-6-7-19(10-21(17)22)25-29(27,28)20-8-9-20/h2-7,10-14,20,25H,8-9H2,1H3
InChIKeyIBSGXTWQSCZNFO-UHFFFAOYSA-N
MW404.50 g/mol
LogP4.21
Rot. Bonds5

About N-[4-[4-(1-methylpyrazol-4-yl)phenyl]isoquinolin-6-yl]cyclopropanesulfonamide

N-[4-[4-(1-methylpyrazol-4-yl)phenyl]isoquinolin-6-yl]cyclopropanesulfonamide (PubChem CID 118660739) has the molecular formula C22H20N4O2S and a molecular weight of 404.50 g/mol. Its IUPAC name is N-[4-[4-(1-methylpyrazol-4-yl)phenyl]isoquinolin-6-yl]cyclopropanesulfonamide.

Molecular Properties

Compound NameN-[4-[4-(1-methylpyrazol-4-yl)phenyl]isoquinolin-6-yl]cyclopropanesulfonamide
PubChem CID118660739
Molecular FormulaC22H20N4O2S
Molecular Weight404.50 g/mol
Exact Mass404.13
IUPAC NameN-[4-[4-(1-methylpyrazol-4-yl)phenyl]isoquinolin-6-yl]cyclopropanesulfonamide
SMILESCn1cc(-c2ccc(-c3cncc4ccc(NS(=O)(=O)C5CC5)cc34)cc2)cn1
InChIInChI=1S/C22H20N4O2S/c1-26-14-18(12-24-26)15-2-4-16(5-3-15)22-13-23-11-17-6-7-19(10-21(17)22)25-29(27,28)20-8-9-20/h2-7,10-14,20,25H,8-9H2,1H3
InChIKeyIBSGXTWQSCZNFO-UHFFFAOYSA-N
XLogP4.21
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.50
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-[4-(1-methylpyrazol-4-yl)phenyl]isoquinolin-6-yl]benzenesulfonamide
CID 118665723
5-methyl-1-[4-[4-(1-methylpyrazol-4-yl)phenyl]isoquinolin-6-yl]pyrrolidin-2-one
CID 118660683
1-[4-[4-(1-methylpyrazol-4-yl)phenyl]isoquinolin-6-yl]pyrrolidin-3-one
CID 118660770
1-[4-[4-(1-methylpyrazol-4-yl)phenyl]isoquinolin-6-yl]piperidin-3-one
CID 158049247
(3-fluoro-3-methylazetidin-1-yl)-[4-[4-(1-methylpyrazol-4-yl)phenyl]isoquinolin-6-yl]methanone
CID 118660824
N-[3-(3,5-difluoro-2-pyridinyl)-5-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-3-yl]phenyl]cyclopropanesulfonamide
CID 155403297
N-(1,3-dimethyl-2,2-dioxo-2λ6,1,3-benzothiadiazol-5-yl)cyclopropanesulfonamide
CID 119101374
7-(cyclopropylsulfonylamino)-N-[3-(1-methylpyrrol-3-yl)-4-pyridinyl]quinazoline-2-carboxamide
CID 175774892
2-(1-methylpyrazol-3-yl)-8-[4-(1-methylpyrazol-4-yl)phenyl]-1,6-naphthyridine
CID 127044488
N-(3-methyltriazol-4-yl)cyclopropanesulfonamide
CID 130666164
7-(cyclopropylsulfonylamino)-N-[3-(4-methoxyphenyl)-4-pyridinyl]quinazoline-2-carboxamide
CID 175774990
7-(1-methylpyrazol-4-yl)isoquinoline
CID 134091205

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-(1-methylpyrazol-4-yl)phenyl]isoquinolin-6-yl]cyclopropanesulfonamide?
The IUPAC name of N-[4-[4-(1-methylpyrazol-4-yl)phenyl]isoquinolin-6-yl]cyclopropanesulfonamide (CID 118660739) is N-[4-[4-(1-methylpyrazol-4-yl)phenyl]isoquinolin-6-yl]cyclopropanesulfonamide.
What is the SMILES notation for N-[4-[4-(1-methylpyrazol-4-yl)phenyl]isoquinolin-6-yl]cyclopropanesulfonamide?
The canonical SMILES for N-[4-[4-(1-methylpyrazol-4-yl)phenyl]isoquinolin-6-yl]cyclopropanesulfonamide is Cn1cc(-c2ccc(-c3cncc4ccc(NS(=O)(=O)C5CC5)cc34)cc2)cn1.
What is the InChIKey of N-[4-[4-(1-methylpyrazol-4-yl)phenyl]isoquinolin-6-yl]cyclopropanesulfonamide?
The InChIKey is IBSGXTWQSCZNFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N4O2S/c1-26-14-18(12-24-26)15-2-4-16(5-3-15)22-13-23-11-17-6-7-19(10-21(17)22)25-29(27,28)20-8-9-20/h2-7,10-14,20,25H,8-9H2,1H3.
What are the key properties of N-[4-[4-(1-methylpyrazol-4-yl)phenyl]isoquinolin-6-yl]cyclopropanesulfonamide?
N-[4-[4-(1-methylpyrazol-4-yl)phenyl]isoquinolin-6-yl]cyclopropanesulfonamide has a molecular weight of 404.50 g/mol, XLogP of 4.21, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-(1-methylpyrazol-4-yl)phenyl]isoquinolin-6-yl]cyclopropanesulfonamide is sourced from PubChem (CID 118660739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).