3-amino-6-(8-chloroquinolin-6-yl)-N-(1-methyl-2-oxopiperidin-4-yl)-5-(1-methylpyrazol-3-yl)pyrazine-2-carboxamide

C24H23ClN8O2 — CID 137430750

IUPAC3-amino-6-(8-chloroquinolin-6-yl)-N-(1-methyl-2-oxopiperidin-4-yl)-5-(1-methylpyrazol-3-yl)pyrazine-2-carboxamide
SMILESCN1CCC(NC(=O)c2nc(-c3cc(Cl)c4ncccc4c3)c(-c3ccn(C)n3)nc2N)CC1=O
InChIInChI=1S/C24H23ClN8O2/c1-32-8-5-15(12-18(32)34)28-24(35)22-23(26)30-21(17-6-9-33(2)31-17)20(29-22)14-10-13-4-3-7-27-19(13)16(25)11-14/h3-4,6-7,9-11,15H,5,8,12H2,1-2H3,(H2,26,30)(H,28,35)
InChIKeySVPXIDIRRNKGMC-UHFFFAOYSA-N
MW490.96 g/mol
LogP2.68
Rot. Bonds4

About 3-amino-6-(8-chloroquinolin-6-yl)-N-(1-methyl-2-oxopiperidin-4-yl)-5-(1-methylpyrazol-3-yl)pyrazine-2-carboxamide

3-amino-6-(8-chloroquinolin-6-yl)-N-(1-methyl-2-oxopiperidin-4-yl)-5-(1-methylpyrazol-3-yl)pyrazine-2-carboxamide (PubChem CID 137430750) has the molecular formula C24H23ClN8O2 and a molecular weight of 490.96 g/mol. Its IUPAC name is 3-amino-6-(8-chloroquinolin-6-yl)-N-(1-methyl-2-oxopiperidin-4-yl)-5-(1-methylpyrazol-3-yl)pyrazine-2-carboxamide.

Molecular Properties

Compound Name3-amino-6-(8-chloroquinolin-6-yl)-N-(1-methyl-2-oxopiperidin-4-yl)-5-(1-methylpyrazol-3-yl)pyrazine-2-carboxamide
PubChem CID137430750
Molecular FormulaC24H23ClN8O2
Molecular Weight490.96 g/mol
Exact Mass490.16
IUPAC Name3-amino-6-(8-chloroquinolin-6-yl)-N-(1-methyl-2-oxopiperidin-4-yl)-5-(1-methylpyrazol-3-yl)pyrazine-2-carboxamide
SMILESCN1CCC(NC(=O)c2nc(-c3cc(Cl)c4ncccc4c3)c(-c3ccn(C)n3)nc2N)CC1=O
InChIInChI=1S/C24H23ClN8O2/c1-32-8-5-15(12-18(32)34)28-24(35)22-23(26)30-21(17-6-9-33(2)31-17)20(29-22)14-10-13-4-3-7-27-19(13)16(25)11-14/h3-4,6-7,9-11,15H,5,8,12H2,1-2H3,(H2,26,30)(H,28,35)
InChIKeySVPXIDIRRNKGMC-UHFFFAOYSA-N
XLogP2.68
TPSA131.92 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.96
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 3-amino-6-(8-chloroquinolin-6-yl)-N-(1-methyl-2-oxopiperidin-4-yl)-5-(1-methylpyrazol-3-yl)pyrazine-2-carboxamide 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 3-amino-6-(8-chloroquinolin-6-yl)-N-(1-methyl-2-oxopiperidin-4-yl)-5-(1-methylpyrazol-3-yl)pyrazine-2-carboxamide?
The IUPAC name of 3-amino-6-(8-chloroquinolin-6-yl)-N-(1-methyl-2-oxopiperidin-4-yl)-5-(1-methylpyrazol-3-yl)pyrazine-2-carboxamide (CID 137430750) is 3-amino-6-(8-chloroquinolin-6-yl)-N-(1-methyl-2-oxopiperidin-4-yl)-5-(1-methylpyrazol-3-yl)pyrazine-2-carboxamide.
What is the SMILES notation for 3-amino-6-(8-chloroquinolin-6-yl)-N-(1-methyl-2-oxopiperidin-4-yl)-5-(1-methylpyrazol-3-yl)pyrazine-2-carboxamide?
The canonical SMILES for 3-amino-6-(8-chloroquinolin-6-yl)-N-(1-methyl-2-oxopiperidin-4-yl)-5-(1-methylpyrazol-3-yl)pyrazine-2-carboxamide is CN1CCC(NC(=O)c2nc(-c3cc(Cl)c4ncccc4c3)c(-c3ccn(C)n3)nc2N)CC1=O.
What is the InChIKey of 3-amino-6-(8-chloroquinolin-6-yl)-N-(1-methyl-2-oxopiperidin-4-yl)-5-(1-methylpyrazol-3-yl)pyrazine-2-carboxamide?
The InChIKey is SVPXIDIRRNKGMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23ClN8O2/c1-32-8-5-15(12-18(32)34)28-24(35)22-23(26)30-21(17-6-9-33(2)31-17)20(29-22)14-10-13-4-3-7-27-19(13)16(25)11-14/h3-4,6-7,9-11,15H,5,8,12H2,1-2H3,(H2,26,30)(H,28,35).
What are the key properties of 3-amino-6-(8-chloroquinolin-6-yl)-N-(1-methyl-2-oxopiperidin-4-yl)-5-(1-methylpyrazol-3-yl)pyrazine-2-carboxamide?
3-amino-6-(8-chloroquinolin-6-yl)-N-(1-methyl-2-oxopiperidin-4-yl)-5-(1-methylpyrazol-3-yl)pyrazine-2-carboxamide has a molecular weight of 490.96 g/mol, XLogP of 2.68, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-6-(8-chloroquinolin-6-yl)-N-(1-methyl-2-oxopiperidin-4-yl)-5-(1-methylpyrazol-3-yl)pyrazine-2-carboxamide is sourced from PubChem (CID 137430750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).