6-[1-[(5-methyl-1H-pyrazol-3-yl)amino]isoquinolin-3-yl]sulfanyl-1,2-dihydroindazol-3-one

C20H16N6OS — CID 58936128

IUPAC6-[1-[(5-methyl-1H-pyrazol-3-yl)amino]isoquinolin-3-yl]sulfanyl-1,2-dihydroindazol-3-one
SMILESCc1cc(Nc2nc(Sc3ccc4c(=O)[nH][nH]c4c3)cc3ccccc23)n[nH]1
InChIInChI=1S/C20H16N6OS/c1-11-8-17(25-23-11)21-19-14-5-3-2-4-12(14)9-18(22-19)28-13-6-7-15-16(10-13)24-26-20(15)27/h2-10H,1H3,(H2,24,26,27)(H2,21,22,23,25)
InChIKeyRAYLSZMIDPMFOA-UHFFFAOYSA-N
MW388.46 g/mol
LogP4.33
Rot. Bonds4

About 6-[1-[(5-methyl-1H-pyrazol-3-yl)amino]isoquinolin-3-yl]sulfanyl-1,2-dihydroindazol-3-one

6-[1-[(5-methyl-1H-pyrazol-3-yl)amino]isoquinolin-3-yl]sulfanyl-1,2-dihydroindazol-3-one (PubChem CID 58936128) has the molecular formula C20H16N6OS and a molecular weight of 388.46 g/mol. Its IUPAC name is 6-[1-[(5-methyl-1H-pyrazol-3-yl)amino]isoquinolin-3-yl]sulfanyl-1,2-dihydroindazol-3-one.

Molecular Properties

Compound Name6-[1-[(5-methyl-1H-pyrazol-3-yl)amino]isoquinolin-3-yl]sulfanyl-1,2-dihydroindazol-3-one
PubChem CID58936128
Molecular FormulaC20H16N6OS
Molecular Weight388.46 g/mol
Exact Mass388.11
IUPAC Name6-[1-[(5-methyl-1H-pyrazol-3-yl)amino]isoquinolin-3-yl]sulfanyl-1,2-dihydroindazol-3-one
SMILESCc1cc(Nc2nc(Sc3ccc4c(=O)[nH][nH]c4c3)cc3ccccc23)n[nH]1
InChIInChI=1S/C20H16N6OS/c1-11-8-17(25-23-11)21-19-14-5-3-2-4-12(14)9-18(22-19)28-13-6-7-15-16(10-13)24-26-20(15)27/h2-10H,1H3,(H2,24,26,27)(H2,21,22,23,25)
InChIKeyRAYLSZMIDPMFOA-UHFFFAOYSA-N
XLogP4.33
TPSA102.25 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.46
LogP ≤ 54.33
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Analyze 6-[1-[(5-methyl-1H-pyrazol-3-yl)amino]isoquinolin-3-yl]sulfanyl-1,2-dihydroindazol-3-one with MolForge

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Related Compounds

CID 57581150
CID 57581150
CID 58936206
CID 58936206
CID 10276426
CID 10276426
CID 10297479
CID 10297479
CID 21991085
CID 21991085
CID 57498033
CID 57498033
CID 58935768
CID 58935768
CID 58935777
CID 58935777
CID 58935785
CID 58935785
CID 58935787
CID 58935787
CID 58935798
CID 58935798
CID 58935809
CID 58935809

Frequently Asked Questions

What is the IUPAC name of 6-[1-[(5-methyl-1H-pyrazol-3-yl)amino]isoquinolin-3-yl]sulfanyl-1,2-dihydroindazol-3-one?
The IUPAC name of 6-[1-[(5-methyl-1H-pyrazol-3-yl)amino]isoquinolin-3-yl]sulfanyl-1,2-dihydroindazol-3-one (CID 58936128) is 6-[1-[(5-methyl-1H-pyrazol-3-yl)amino]isoquinolin-3-yl]sulfanyl-1,2-dihydroindazol-3-one.
What is the SMILES notation for 6-[1-[(5-methyl-1H-pyrazol-3-yl)amino]isoquinolin-3-yl]sulfanyl-1,2-dihydroindazol-3-one?
The canonical SMILES for 6-[1-[(5-methyl-1H-pyrazol-3-yl)amino]isoquinolin-3-yl]sulfanyl-1,2-dihydroindazol-3-one is Cc1cc(Nc2nc(Sc3ccc4c(=O)[nH][nH]c4c3)cc3ccccc23)n[nH]1.
What is the InChIKey of 6-[1-[(5-methyl-1H-pyrazol-3-yl)amino]isoquinolin-3-yl]sulfanyl-1,2-dihydroindazol-3-one?
The InChIKey is RAYLSZMIDPMFOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N6OS/c1-11-8-17(25-23-11)21-19-14-5-3-2-4-12(14)9-18(22-19)28-13-6-7-15-16(10-13)24-26-20(15)27/h2-10H,1H3,(H2,24,26,27)(H2,21,22,23,25).
What are the key properties of 6-[1-[(5-methyl-1H-pyrazol-3-yl)amino]isoquinolin-3-yl]sulfanyl-1,2-dihydroindazol-3-one?
6-[1-[(5-methyl-1H-pyrazol-3-yl)amino]isoquinolin-3-yl]sulfanyl-1,2-dihydroindazol-3-one has a molecular weight of 388.46 g/mol, XLogP of 4.33, 4 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[1-[(5-methyl-1H-pyrazol-3-yl)amino]isoquinolin-3-yl]sulfanyl-1,2-dihydroindazol-3-one is sourced from PubChem (CID 58936128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).