5-(8-chloroquinolin-6-yl)-3-[[6-(methylamino)-3-pyridinyl]methoxy]-6-(1-methylpyrazol-3-yl)pyrazin-2-amine

C24H21ClN8O — CID 137430571

IUPAC5-(8-chloroquinolin-6-yl)-3-[[6-(methylamino)-3-pyridinyl]methoxy]-6-(1-methylpyrazol-3-yl)pyrazin-2-amine
SMILESCNc1ccc(COc2nc(-c3cc(Cl)c4ncccc4c3)c(-c3ccn(C)n3)nc2N)cn1
InChIInChI=1S/C24H21ClN8O/c1-27-19-6-5-14(12-29-19)13-34-24-23(26)30-22(18-7-9-33(2)32-18)21(31-24)16-10-15-4-3-8-28-20(15)17(25)11-16/h3-12H,13H2,1-2H3,(H2,26,30)(H,27,29)
InChIKeyKSINGJGUGQFMFC-UHFFFAOYSA-N
MW472.94 g/mol
LogP4.34
Rot. Bonds6

About 5-(8-chloroquinolin-6-yl)-3-[[6-(methylamino)-3-pyridinyl]methoxy]-6-(1-methylpyrazol-3-yl)pyrazin-2-amine

5-(8-chloroquinolin-6-yl)-3-[[6-(methylamino)-3-pyridinyl]methoxy]-6-(1-methylpyrazol-3-yl)pyrazin-2-amine (PubChem CID 137430571) has the molecular formula C24H21ClN8O and a molecular weight of 472.94 g/mol. Its IUPAC name is 5-(8-chloroquinolin-6-yl)-3-[[6-(methylamino)-3-pyridinyl]methoxy]-6-(1-methylpyrazol-3-yl)pyrazin-2-amine.

Molecular Properties

Compound Name5-(8-chloroquinolin-6-yl)-3-[[6-(methylamino)-3-pyridinyl]methoxy]-6-(1-methylpyrazol-3-yl)pyrazin-2-amine
PubChem CID137430571
Molecular FormulaC24H21ClN8O
Molecular Weight472.94 g/mol
Exact Mass472.15
IUPAC Name5-(8-chloroquinolin-6-yl)-3-[[6-(methylamino)-3-pyridinyl]methoxy]-6-(1-methylpyrazol-3-yl)pyrazin-2-amine
SMILESCNc1ccc(COc2nc(-c3cc(Cl)c4ncccc4c3)c(-c3ccn(C)n3)nc2N)cn1
InChIInChI=1S/C24H21ClN8O/c1-27-19-6-5-14(12-29-19)13-34-24-23(26)30-22(18-7-9-33(2)32-18)21(31-24)16-10-15-4-3-8-28-20(15)17(25)11-16/h3-12H,13H2,1-2H3,(H2,26,30)(H,27,29)
InChIKeyKSINGJGUGQFMFC-UHFFFAOYSA-N
XLogP4.34
TPSA116.66 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.94
LogP ≤ 54.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze 5-(8-chloroquinolin-6-yl)-3-[[6-(methylamino)-3-pyridinyl]methoxy]-6-(1-methylpyrazol-3-yl)pyrazin-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-(8-chloroquinolin-6-yl)-3-[[6-(methylamino)-3-pyridinyl]methoxy]-6-(1-methylpyrazol-3-yl)pyrazin-2-amine?
The IUPAC name of 5-(8-chloroquinolin-6-yl)-3-[[6-(methylamino)-3-pyridinyl]methoxy]-6-(1-methylpyrazol-3-yl)pyrazin-2-amine (CID 137430571) is 5-(8-chloroquinolin-6-yl)-3-[[6-(methylamino)-3-pyridinyl]methoxy]-6-(1-methylpyrazol-3-yl)pyrazin-2-amine.
What is the SMILES notation for 5-(8-chloroquinolin-6-yl)-3-[[6-(methylamino)-3-pyridinyl]methoxy]-6-(1-methylpyrazol-3-yl)pyrazin-2-amine?
The canonical SMILES for 5-(8-chloroquinolin-6-yl)-3-[[6-(methylamino)-3-pyridinyl]methoxy]-6-(1-methylpyrazol-3-yl)pyrazin-2-amine is CNc1ccc(COc2nc(-c3cc(Cl)c4ncccc4c3)c(-c3ccn(C)n3)nc2N)cn1.
What is the InChIKey of 5-(8-chloroquinolin-6-yl)-3-[[6-(methylamino)-3-pyridinyl]methoxy]-6-(1-methylpyrazol-3-yl)pyrazin-2-amine?
The InChIKey is KSINGJGUGQFMFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21ClN8O/c1-27-19-6-5-14(12-29-19)13-34-24-23(26)30-22(18-7-9-33(2)32-18)21(31-24)16-10-15-4-3-8-28-20(15)17(25)11-16/h3-12H,13H2,1-2H3,(H2,26,30)(H,27,29).
What are the key properties of 5-(8-chloroquinolin-6-yl)-3-[[6-(methylamino)-3-pyridinyl]methoxy]-6-(1-methylpyrazol-3-yl)pyrazin-2-amine?
5-(8-chloroquinolin-6-yl)-3-[[6-(methylamino)-3-pyridinyl]methoxy]-6-(1-methylpyrazol-3-yl)pyrazin-2-amine has a molecular weight of 472.94 g/mol, XLogP of 4.34, 6 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(8-chloroquinolin-6-yl)-3-[[6-(methylamino)-3-pyridinyl]methoxy]-6-(1-methylpyrazol-3-yl)pyrazin-2-amine is sourced from PubChem (CID 137430571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).