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

C24H21ClN8O — CID 137430358

IUPAC3-amino-6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)-N-[(1-methylpyrrol-3-yl)methyl]pyrazine-2-carboxamide
SMILESCn1ccc(CNC(=O)c2nc(-c3cc(Cl)c4ncccc4c3)c(-c3ccn(C)n3)nc2N)c1
InChIInChI=1S/C24H21ClN8O/c1-32-8-5-14(13-32)12-28-24(34)22-23(26)30-21(18-6-9-33(2)31-18)20(29-22)16-10-15-4-3-7-27-19(15)17(25)11-16/h3-11,13H,12H2,1-2H3,(H2,26,30)(H,28,34)
InChIKeySNAWDUKXJNVEGQ-UHFFFAOYSA-N
MW472.94 g/mol
LogP3.60
Rot. Bonds5

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

3-amino-6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)-N-[(1-methylpyrrol-3-yl)methyl]pyrazine-2-carboxamide (PubChem CID 137430358) has the molecular formula C24H21ClN8O and a molecular weight of 472.94 g/mol. Its IUPAC name is 3-amino-6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)-N-[(1-methylpyrrol-3-yl)methyl]pyrazine-2-carboxamide.

Molecular Properties

Compound Name3-amino-6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)-N-[(1-methylpyrrol-3-yl)methyl]pyrazine-2-carboxamide
PubChem CID137430358
Molecular FormulaC24H21ClN8O
Molecular Weight472.94 g/mol
Exact Mass472.15
IUPAC Name3-amino-6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)-N-[(1-methylpyrrol-3-yl)methyl]pyrazine-2-carboxamide
SMILESCn1ccc(CNC(=O)c2nc(-c3cc(Cl)c4ncccc4c3)c(-c3ccn(C)n3)nc2N)c1
InChIInChI=1S/C24H21ClN8O/c1-32-8-5-14(13-32)12-28-24(34)22-23(26)30-21(18-6-9-33(2)31-18)20(29-22)16-10-15-4-3-7-27-19(15)17(25)11-16/h3-11,13H,12H2,1-2H3,(H2,26,30)(H,28,34)
InChIKeySNAWDUKXJNVEGQ-UHFFFAOYSA-N
XLogP3.60
TPSA116.54 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.94
LogP ≤ 53.60
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)methyl]pyrazine-2-carboxamide?
The IUPAC name of 3-amino-6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)-N-[(1-methylpyrrol-3-yl)methyl]pyrazine-2-carboxamide (CID 137430358) is 3-amino-6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)-N-[(1-methylpyrrol-3-yl)methyl]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)methyl]pyrazine-2-carboxamide?
The canonical SMILES for 3-amino-6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)-N-[(1-methylpyrrol-3-yl)methyl]pyrazine-2-carboxamide is Cn1ccc(CNC(=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)methyl]pyrazine-2-carboxamide?
The InChIKey is SNAWDUKXJNVEGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21ClN8O/c1-32-8-5-14(13-32)12-28-24(34)22-23(26)30-21(18-6-9-33(2)31-18)20(29-22)16-10-15-4-3-7-27-19(15)17(25)11-16/h3-11,13H,12H2,1-2H3,(H2,26,30)(H,28,34).
What are the key properties of 3-amino-6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)-N-[(1-methylpyrrol-3-yl)methyl]pyrazine-2-carboxamide?
3-amino-6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)-N-[(1-methylpyrrol-3-yl)methyl]pyrazine-2-carboxamide has a molecular weight of 472.94 g/mol, XLogP of 3.60, 5 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)methyl]pyrazine-2-carboxamide is sourced from PubChem (CID 137430358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).