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

C23H23ClN8O — CID 137430753

IUPAC3-amino-6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)-N-(1-methylpyrrolidin-3-yl)pyrazine-2-carboxamide
SMILESCN1CCC(NC(=O)c2nc(-c3cc(Cl)c4ncccc4c3)c(-c3ccn(C)n3)nc2N)C1
InChIInChI=1S/C23H23ClN8O/c1-31-8-5-15(12-31)27-23(33)21-22(25)29-20(17-6-9-32(2)30-17)19(28-21)14-10-13-4-3-7-26-18(13)16(24)11-14/h3-4,6-7,9-11,15H,5,8,12H2,1-2H3,(H2,25,29)(H,27,33)
InChIKeyDFEANNWGPWLIRN-UHFFFAOYSA-N
MW462.95 g/mol
LogP2.76
Rot. Bonds4

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

3-amino-6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)-N-(1-methylpyrrolidin-3-yl)pyrazine-2-carboxamide (PubChem CID 137430753) has the molecular formula C23H23ClN8O and a molecular weight of 462.95 g/mol. Its IUPAC name is 3-amino-6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)-N-(1-methylpyrrolidin-3-yl)pyrazine-2-carboxamide.

Molecular Properties

Compound Name3-amino-6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)-N-(1-methylpyrrolidin-3-yl)pyrazine-2-carboxamide
PubChem CID137430753
Molecular FormulaC23H23ClN8O
Molecular Weight462.95 g/mol
Exact Mass462.17
IUPAC Name3-amino-6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)-N-(1-methylpyrrolidin-3-yl)pyrazine-2-carboxamide
SMILESCN1CCC(NC(=O)c2nc(-c3cc(Cl)c4ncccc4c3)c(-c3ccn(C)n3)nc2N)C1
InChIInChI=1S/C23H23ClN8O/c1-31-8-5-15(12-31)27-23(33)21-22(25)29-20(17-6-9-32(2)30-17)19(28-21)14-10-13-4-3-7-26-18(13)16(24)11-14/h3-4,6-7,9-11,15H,5,8,12H2,1-2H3,(H2,25,29)(H,27,33)
InChIKeyDFEANNWGPWLIRN-UHFFFAOYSA-N
XLogP2.76
TPSA114.85 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.95
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 3-amino-6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)-N-(1-methylpyrrolidin-3-yl)pyrazine-2-carboxamide?
The IUPAC name of 3-amino-6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)-N-(1-methylpyrrolidin-3-yl)pyrazine-2-carboxamide (CID 137430753) is 3-amino-6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)-N-(1-methylpyrrolidin-3-yl)pyrazine-2-carboxamide.
What is the SMILES notation for 3-amino-6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)-N-(1-methylpyrrolidin-3-yl)pyrazine-2-carboxamide?
The canonical SMILES for 3-amino-6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)-N-(1-methylpyrrolidin-3-yl)pyrazine-2-carboxamide is CN1CCC(NC(=O)c2nc(-c3cc(Cl)c4ncccc4c3)c(-c3ccn(C)n3)nc2N)C1.
What is the InChIKey of 3-amino-6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)-N-(1-methylpyrrolidin-3-yl)pyrazine-2-carboxamide?
The InChIKey is DFEANNWGPWLIRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23ClN8O/c1-31-8-5-15(12-31)27-23(33)21-22(25)29-20(17-6-9-32(2)30-17)19(28-21)14-10-13-4-3-7-26-18(13)16(24)11-14/h3-4,6-7,9-11,15H,5,8,12H2,1-2H3,(H2,25,29)(H,27,33).
What are the key properties of 3-amino-6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)-N-(1-methylpyrrolidin-3-yl)pyrazine-2-carboxamide?
3-amino-6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)-N-(1-methylpyrrolidin-3-yl)pyrazine-2-carboxamide has a molecular weight of 462.95 g/mol, XLogP of 2.76, 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)-5-(1-methylpyrazol-3-yl)-N-(1-methylpyrrolidin-3-yl)pyrazine-2-carboxamide is sourced from PubChem (CID 137430753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).