5-(8-chloroquinolin-6-yl)-6-(1-methylpyrazol-3-yl)-3-propan-2-ylpyrazin-2-amine

C20H19ClN6 — CID 137430599

IUPAC5-(8-chloroquinolin-6-yl)-6-(1-methylpyrazol-3-yl)-3-propan-2-ylpyrazin-2-amine
SMILESCC(C)c1nc(-c2cc(Cl)c3ncccc3c2)c(-c2ccn(C)n2)nc1N
InChIInChI=1S/C20H19ClN6/c1-11(2)16-20(22)25-19(15-6-8-27(3)26-15)18(24-16)13-9-12-5-4-7-23-17(12)14(21)10-13/h4-11H,1-3H3,(H2,22,25)
InChIKeyNCDQZMIFVCCZGC-UHFFFAOYSA-N
MW378.87 g/mol
LogP4.45
Rot. Bonds3

About 5-(8-chloroquinolin-6-yl)-6-(1-methylpyrazol-3-yl)-3-propan-2-ylpyrazin-2-amine

5-(8-chloroquinolin-6-yl)-6-(1-methylpyrazol-3-yl)-3-propan-2-ylpyrazin-2-amine (PubChem CID 137430599) has the molecular formula C20H19ClN6 and a molecular weight of 378.87 g/mol. Its IUPAC name is 5-(8-chloroquinolin-6-yl)-6-(1-methylpyrazol-3-yl)-3-propan-2-ylpyrazin-2-amine.

Molecular Properties

Compound Name5-(8-chloroquinolin-6-yl)-6-(1-methylpyrazol-3-yl)-3-propan-2-ylpyrazin-2-amine
PubChem CID137430599
Molecular FormulaC20H19ClN6
Molecular Weight378.87 g/mol
Exact Mass378.14
IUPAC Name5-(8-chloroquinolin-6-yl)-6-(1-methylpyrazol-3-yl)-3-propan-2-ylpyrazin-2-amine
SMILESCC(C)c1nc(-c2cc(Cl)c3ncccc3c2)c(-c2ccn(C)n2)nc1N
InChIInChI=1S/C20H19ClN6/c1-11(2)16-20(22)25-19(15-6-8-27(3)26-15)18(24-16)13-9-12-5-4-7-23-17(12)14(21)10-13/h4-11H,1-3H3,(H2,22,25)
InChIKeyNCDQZMIFVCCZGC-UHFFFAOYSA-N
XLogP4.45
TPSA82.51 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.87
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-p-tolyl-2H-pyrazolo[3,4-c]quinolin-4-amine
CID 10754789
3-(2-chloroquinolin-6-yl)-1-isopropyl-1H-pyrazolo[3,4-d]pyrimidin-4-amine
CID 24905216
1-[5-Chloro-6-(triazol-2-yl)-3-pyridinyl]-3-(4-cyclopropyl-6-fluoroquinolin-3-yl)urea
CID 142425477
1-[5-Chloro-6-(triazol-2-yl)-3-pyridinyl]-3-(4-cyclopropyl-7-fluoroquinolin-3-yl)urea
CID 142425482
1-[5-Chloro-6-(triazol-2-yl)-3-pyridinyl]-3-(4-propan-2-ylquinolin-3-yl)urea
CID 142425488
1-[5-Chloro-6-(triazol-2-yl)-3-pyridinyl]-3-(4-methylquinolin-3-yl)urea
CID 142425498
Malt1-IN-8
CID 142425503
1-[5-Chloro-6-(triazol-2-yl)-3-pyridinyl]-3-(4-cyclopentylquinolin-3-yl)urea
CID 142425524
1-[5-Chloro-6-(triazol-2-yl)-3-pyridinyl]-3-(4-cyclopropylquinolin-3-yl)urea
CID 142425530
2-Butyl-2h-Pyrazolo[3,4-C]quinolin-4-Amine
CID 66958698
2-o-Tolyl-2H-pyrazolo[3,4-c]quinolin-4-ylamine
CID 10492556
(8-Chloro-2-phenyl-2H-pyrazolo[3,4-c]quinolin-4-yl)-cyclohexyl-amine
CID 10547577

Frequently Asked Questions

What is the IUPAC name of 5-(8-chloroquinolin-6-yl)-6-(1-methylpyrazol-3-yl)-3-propan-2-ylpyrazin-2-amine?
The IUPAC name of 5-(8-chloroquinolin-6-yl)-6-(1-methylpyrazol-3-yl)-3-propan-2-ylpyrazin-2-amine (CID 137430599) is 5-(8-chloroquinolin-6-yl)-6-(1-methylpyrazol-3-yl)-3-propan-2-ylpyrazin-2-amine.
What is the SMILES notation for 5-(8-chloroquinolin-6-yl)-6-(1-methylpyrazol-3-yl)-3-propan-2-ylpyrazin-2-amine?
The canonical SMILES for 5-(8-chloroquinolin-6-yl)-6-(1-methylpyrazol-3-yl)-3-propan-2-ylpyrazin-2-amine is CC(C)c1nc(-c2cc(Cl)c3ncccc3c2)c(-c2ccn(C)n2)nc1N.
What is the InChIKey of 5-(8-chloroquinolin-6-yl)-6-(1-methylpyrazol-3-yl)-3-propan-2-ylpyrazin-2-amine?
The InChIKey is NCDQZMIFVCCZGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19ClN6/c1-11(2)16-20(22)25-19(15-6-8-27(3)26-15)18(24-16)13-9-12-5-4-7-23-17(12)14(21)10-13/h4-11H,1-3H3,(H2,22,25).
What are the key properties of 5-(8-chloroquinolin-6-yl)-6-(1-methylpyrazol-3-yl)-3-propan-2-ylpyrazin-2-amine?
5-(8-chloroquinolin-6-yl)-6-(1-methylpyrazol-3-yl)-3-propan-2-ylpyrazin-2-amine has a molecular weight of 378.87 g/mol, XLogP of 4.45, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(8-chloroquinolin-6-yl)-6-(1-methylpyrazol-3-yl)-3-propan-2-ylpyrazin-2-amine is sourced from PubChem (CID 137430599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).