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

C23H19ClN8O — CID 137430746

IUPAC3-amino-6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)-N-(1-methylpyrrol-3-yl)pyrazine-2-carboxamide
SMILESCn1ccc(NC(=O)c2nc(-c3cc(Cl)c4ncccc4c3)c(-c3ccn(C)n3)nc2N)c1
InChIInChI=1S/C23H19ClN8O/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/h3-12H,1-2H3,(H2,25,29)(H,27,33)
InChIKeyIUHCRPFTUXTDLL-UHFFFAOYSA-N
MW458.91 g/mol
LogP3.92
Rot. Bonds4

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

3-amino-6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)-N-(1-methylpyrrol-3-yl)pyrazine-2-carboxamide (PubChem CID 137430746) has the molecular formula C23H19ClN8O and a molecular weight of 458.91 g/mol. Its IUPAC name is 3-amino-6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)-N-(1-methylpyrrol-3-yl)pyrazine-2-carboxamide.

Molecular Properties

Compound Name3-amino-6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)-N-(1-methylpyrrol-3-yl)pyrazine-2-carboxamide
PubChem CID137430746
Molecular FormulaC23H19ClN8O
Molecular Weight458.91 g/mol
Exact Mass458.14
IUPAC Name3-amino-6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)-N-(1-methylpyrrol-3-yl)pyrazine-2-carboxamide
SMILESCn1ccc(NC(=O)c2nc(-c3cc(Cl)c4ncccc4c3)c(-c3ccn(C)n3)nc2N)c1
InChIInChI=1S/C23H19ClN8O/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/h3-12H,1-2H3,(H2,25,29)(H,27,33)
InChIKeyIUHCRPFTUXTDLL-UHFFFAOYSA-N
XLogP3.92
TPSA116.54 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.91
LogP ≤ 53.92
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-methylpyrrol-3-yl)pyrazine-2-carboxamide?
The IUPAC name of 3-amino-6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)-N-(1-methylpyrrol-3-yl)pyrazine-2-carboxamide (CID 137430746) is 3-amino-6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)-N-(1-methylpyrrol-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-methylpyrrol-3-yl)pyrazine-2-carboxamide?
The canonical SMILES for 3-amino-6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)-N-(1-methylpyrrol-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-methylpyrrol-3-yl)pyrazine-2-carboxamide?
The InChIKey is IUHCRPFTUXTDLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19ClN8O/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/h3-12H,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-methylpyrrol-3-yl)pyrazine-2-carboxamide?
3-amino-6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)-N-(1-methylpyrrol-3-yl)pyrazine-2-carboxamide has a molecular weight of 458.91 g/mol, XLogP of 3.92, 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-methylpyrrol-3-yl)pyrazine-2-carboxamide is sourced from PubChem (CID 137430746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).