5-(8-chloroquinolin-6-yl)-3-N-[[6-(methylamino)-3-pyridinyl]methyl]-6-(1-methylpyrazol-3-yl)pyrazine-2,3-diamine

C24H22ClN9 — CID 137430341

IUPAC5-(8-chloroquinolin-6-yl)-3-N-[[6-(methylamino)-3-pyridinyl]methyl]-6-(1-methylpyrazol-3-yl)pyrazine-2,3-diamine
SMILESCNc1ccc(CNc2nc(-c3cc(Cl)c4ncccc4c3)c(-c3ccn(C)n3)nc2N)cn1
InChIInChI=1S/C24H22ClN9/c1-27-19-6-5-14(12-29-19)13-30-24-23(26)31-22(18-7-9-34(2)33-18)21(32-24)16-10-15-4-3-8-28-20(15)17(25)11-16/h3-12H,13H2,1-2H3,(H2,26,31)(H,27,29)(H,30,32)
InChIKeyIRFJMZVBEJJGBK-UHFFFAOYSA-N
MW471.96 g/mol
LogP4.38
Rot. Bonds6

About 5-(8-chloroquinolin-6-yl)-3-N-[[6-(methylamino)-3-pyridinyl]methyl]-6-(1-methylpyrazol-3-yl)pyrazine-2,3-diamine

5-(8-chloroquinolin-6-yl)-3-N-[[6-(methylamino)-3-pyridinyl]methyl]-6-(1-methylpyrazol-3-yl)pyrazine-2,3-diamine (PubChem CID 137430341) has the molecular formula C24H22ClN9 and a molecular weight of 471.96 g/mol. Its IUPAC name is 5-(8-chloroquinolin-6-yl)-3-N-[[6-(methylamino)-3-pyridinyl]methyl]-6-(1-methylpyrazol-3-yl)pyrazine-2,3-diamine.

Molecular Properties

Compound Name5-(8-chloroquinolin-6-yl)-3-N-[[6-(methylamino)-3-pyridinyl]methyl]-6-(1-methylpyrazol-3-yl)pyrazine-2,3-diamine
PubChem CID137430341
Molecular FormulaC24H22ClN9
Molecular Weight471.96 g/mol
Exact Mass471.17
IUPAC Name5-(8-chloroquinolin-6-yl)-3-N-[[6-(methylamino)-3-pyridinyl]methyl]-6-(1-methylpyrazol-3-yl)pyrazine-2,3-diamine
SMILESCNc1ccc(CNc2nc(-c3cc(Cl)c4ncccc4c3)c(-c3ccn(C)n3)nc2N)cn1
InChIInChI=1S/C24H22ClN9/c1-27-19-6-5-14(12-29-19)13-30-24-23(26)31-22(18-7-9-34(2)33-18)21(32-24)16-10-15-4-3-8-28-20(15)17(25)11-16/h3-12H,13H2,1-2H3,(H2,26,31)(H,27,29)(H,30,32)
InChIKeyIRFJMZVBEJJGBK-UHFFFAOYSA-N
XLogP4.38
TPSA119.46 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.96
LogP ≤ 54.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 5-(8-chloroquinolin-6-yl)-3-N-[[6-(methylamino)-3-pyridinyl]methyl]-6-(1-methylpyrazol-3-yl)pyrazine-2,3-diamine?
The IUPAC name of 5-(8-chloroquinolin-6-yl)-3-N-[[6-(methylamino)-3-pyridinyl]methyl]-6-(1-methylpyrazol-3-yl)pyrazine-2,3-diamine (CID 137430341) is 5-(8-chloroquinolin-6-yl)-3-N-[[6-(methylamino)-3-pyridinyl]methyl]-6-(1-methylpyrazol-3-yl)pyrazine-2,3-diamine.
What is the SMILES notation for 5-(8-chloroquinolin-6-yl)-3-N-[[6-(methylamino)-3-pyridinyl]methyl]-6-(1-methylpyrazol-3-yl)pyrazine-2,3-diamine?
The canonical SMILES for 5-(8-chloroquinolin-6-yl)-3-N-[[6-(methylamino)-3-pyridinyl]methyl]-6-(1-methylpyrazol-3-yl)pyrazine-2,3-diamine is CNc1ccc(CNc2nc(-c3cc(Cl)c4ncccc4c3)c(-c3ccn(C)n3)nc2N)cn1.
What is the InChIKey of 5-(8-chloroquinolin-6-yl)-3-N-[[6-(methylamino)-3-pyridinyl]methyl]-6-(1-methylpyrazol-3-yl)pyrazine-2,3-diamine?
The InChIKey is IRFJMZVBEJJGBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22ClN9/c1-27-19-6-5-14(12-29-19)13-30-24-23(26)31-22(18-7-9-34(2)33-18)21(32-24)16-10-15-4-3-8-28-20(15)17(25)11-16/h3-12H,13H2,1-2H3,(H2,26,31)(H,27,29)(H,30,32).
What are the key properties of 5-(8-chloroquinolin-6-yl)-3-N-[[6-(methylamino)-3-pyridinyl]methyl]-6-(1-methylpyrazol-3-yl)pyrazine-2,3-diamine?
5-(8-chloroquinolin-6-yl)-3-N-[[6-(methylamino)-3-pyridinyl]methyl]-6-(1-methylpyrazol-3-yl)pyrazine-2,3-diamine has a molecular weight of 471.96 g/mol, XLogP of 4.38, 6 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(8-chloroquinolin-6-yl)-3-N-[[6-(methylamino)-3-pyridinyl]methyl]-6-(1-methylpyrazol-3-yl)pyrazine-2,3-diamine is sourced from PubChem (CID 137430341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).