3-(4-fluorophenyl)sulfinyl-N-(5-methyl-1H-pyrazol-3-yl)isoquinolin-1-amine

C19H15FN4OS — CID 56929174

IUPAC3-(4-fluorophenyl)sulfinyl-N-(5-methyl-1H-pyrazol-3-yl)isoquinolin-1-amine
SMILESCc1cc(Nc2nc(S(=O)c3ccc(F)cc3)cc3ccccc23)n[nH]1
InChIInChI=1S/C19H15FN4OS/c1-12-10-17(24-23-12)21-19-16-5-3-2-4-13(16)11-18(22-19)26(25)15-8-6-14(20)7-9-15/h2-11H,1H3,(H2,21,22,23,24)
InChIKeyJBAMUBVRUGKXOP-UHFFFAOYSA-N
MW366.42 g/mol
LogP4.32
Rot. Bonds4

About 3-(4-fluorophenyl)sulfinyl-N-(5-methyl-1H-pyrazol-3-yl)isoquinolin-1-amine

3-(4-fluorophenyl)sulfinyl-N-(5-methyl-1H-pyrazol-3-yl)isoquinolin-1-amine (PubChem CID 56929174) has the molecular formula C19H15FN4OS and a molecular weight of 366.42 g/mol. Its IUPAC name is 3-(4-fluorophenyl)sulfinyl-N-(5-methyl-1H-pyrazol-3-yl)isoquinolin-1-amine.

Molecular Properties

Compound Name3-(4-fluorophenyl)sulfinyl-N-(5-methyl-1H-pyrazol-3-yl)isoquinolin-1-amine
PubChem CID56929174
Molecular FormulaC19H15FN4OS
Molecular Weight366.42 g/mol
Exact Mass366.10
IUPAC Name3-(4-fluorophenyl)sulfinyl-N-(5-methyl-1H-pyrazol-3-yl)isoquinolin-1-amine
SMILESCc1cc(Nc2nc(S(=O)c3ccc(F)cc3)cc3ccccc23)n[nH]1
InChIInChI=1S/C19H15FN4OS/c1-12-10-17(24-23-12)21-19-16-5-3-2-4-13(16)11-18(22-19)26(25)15-8-6-14(20)7-9-15/h2-11H,1H3,(H2,21,22,23,24)
InChIKeyJBAMUBVRUGKXOP-UHFFFAOYSA-N
XLogP4.32
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.42
LogP ≤ 54.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(2-chlorophenyl)-N-(5-methyl-1H-pyrazol-3-yl)isoquinolin-1-amine;vanadium
CID 159527409
2-N-(2-fluorophenyl)-4-N-(5-methyl-1H-pyrazol-3-yl)quinazoline-2,4-diamine
CID 170946131
(4-fluorophenyl)-[[4-[(5-methyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]methyl]carbamic acid
CID 68787141
(S)-(4-fluorophenyl)-[4-[(5-methyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]methanol sulfate
CID 71727288
2-N-[(3-fluorophenyl)methyl]-4-N-(5-methyl-1H-pyrazol-3-yl)quinazoline-2,4-diamine
CID 170000713
1-(4-fluorophenyl)-1-methyl-N-(5-methyl-1H-pyrazol-3-yl)cyclopropa[b]quinolin-7-amine
CID 90918751
3-(1,3-benzothiazol-6-ylsulfanyl)-N-(5-methyl-1H-pyrazol-3-yl)isoquinolin-1-amine
CID 20604068
N-(5-methyl-1H-pyrazol-3-yl)-2-naphthalen-2-ylsulfanylquinazolin-4-amine
CID 10134576
2-(4-fluorophenyl)sulfanyl-N-(5-methyl-1H-pyrazol-3-yl)quinolin-4-amine
CID 123636824
3-fluoro-4-methyl-N-(5-methyl-1H-pyrazol-3-yl)pyridin-2-amine
CID 175886124
2-(2-chlorophenyl)sulfanyl-N-(5-methyl-1H-pyrazol-3-yl)quinazolin-4-amine
CID 10270356
[(4-fluoro-2-methylphenyl)-[4-[(5-methyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]methyl] carbamate
CID 140558404

Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)sulfinyl-N-(5-methyl-1H-pyrazol-3-yl)isoquinolin-1-amine?
The IUPAC name of 3-(4-fluorophenyl)sulfinyl-N-(5-methyl-1H-pyrazol-3-yl)isoquinolin-1-amine (CID 56929174) is 3-(4-fluorophenyl)sulfinyl-N-(5-methyl-1H-pyrazol-3-yl)isoquinolin-1-amine.
What is the SMILES notation for 3-(4-fluorophenyl)sulfinyl-N-(5-methyl-1H-pyrazol-3-yl)isoquinolin-1-amine?
The canonical SMILES for 3-(4-fluorophenyl)sulfinyl-N-(5-methyl-1H-pyrazol-3-yl)isoquinolin-1-amine is Cc1cc(Nc2nc(S(=O)c3ccc(F)cc3)cc3ccccc23)n[nH]1.
What is the InChIKey of 3-(4-fluorophenyl)sulfinyl-N-(5-methyl-1H-pyrazol-3-yl)isoquinolin-1-amine?
The InChIKey is JBAMUBVRUGKXOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15FN4OS/c1-12-10-17(24-23-12)21-19-16-5-3-2-4-13(16)11-18(22-19)26(25)15-8-6-14(20)7-9-15/h2-11H,1H3,(H2,21,22,23,24).
What are the key properties of 3-(4-fluorophenyl)sulfinyl-N-(5-methyl-1H-pyrazol-3-yl)isoquinolin-1-amine?
3-(4-fluorophenyl)sulfinyl-N-(5-methyl-1H-pyrazol-3-yl)isoquinolin-1-amine has a molecular weight of 366.42 g/mol, XLogP of 4.32, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)sulfinyl-N-(5-methyl-1H-pyrazol-3-yl)isoquinolin-1-amine is sourced from PubChem (CID 56929174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).