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

C25H21ClN8O — CID 154604746

IUPAC3-amino-6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)-N-(1-pyridin-2-ylethyl)pyrazine-2-carboxamide
SMILESCC(NC(=O)c1nc(-c2cc(Cl)c3ncccc3c2)c(-c2ccn(C)n2)nc1N)c1ccccn1
InChIInChI=1S/C25H21ClN8O/c1-14(18-7-3-4-9-28-18)30-25(35)23-24(27)32-22(19-8-11-34(2)33-19)21(31-23)16-12-15-6-5-10-29-20(15)17(26)13-16/h3-14H,1-2H3,(H2,27,32)(H,30,35)
InChIKeyOGLVOAQHKKYQBF-UHFFFAOYSA-N
MW484.95 g/mol
LogP4.21
Rot. Bonds5

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

3-amino-6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)-N-(1-pyridin-2-ylethyl)pyrazine-2-carboxamide (PubChem CID 154604746) has the molecular formula C25H21ClN8O and a molecular weight of 484.95 g/mol. Its IUPAC name is 3-amino-6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)-N-(1-pyridin-2-ylethyl)pyrazine-2-carboxamide.

Molecular Properties

Compound Name3-amino-6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)-N-(1-pyridin-2-ylethyl)pyrazine-2-carboxamide
PubChem CID154604746
Molecular FormulaC25H21ClN8O
Molecular Weight484.95 g/mol
Exact Mass484.15
IUPAC Name3-amino-6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)-N-(1-pyridin-2-ylethyl)pyrazine-2-carboxamide
SMILESCC(NC(=O)c1nc(-c2cc(Cl)c3ncccc3c2)c(-c2ccn(C)n2)nc1N)c1ccccn1
InChIInChI=1S/C25H21ClN8O/c1-14(18-7-3-4-9-28-18)30-25(35)23-24(27)32-22(19-8-11-34(2)33-19)21(31-23)16-12-15-6-5-10-29-20(15)17(26)13-16/h3-14H,1-2H3,(H2,27,32)(H,30,35)
InChIKeyOGLVOAQHKKYQBF-UHFFFAOYSA-N
XLogP4.21
TPSA124.50 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.95
LogP ≤ 54.21
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-pyridin-2-ylethyl)pyrazine-2-carboxamide?
The IUPAC name of 3-amino-6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)-N-(1-pyridin-2-ylethyl)pyrazine-2-carboxamide (CID 154604746) is 3-amino-6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)-N-(1-pyridin-2-ylethyl)pyrazine-2-carboxamide.
What is the SMILES notation for 3-amino-6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)-N-(1-pyridin-2-ylethyl)pyrazine-2-carboxamide?
The canonical SMILES for 3-amino-6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)-N-(1-pyridin-2-ylethyl)pyrazine-2-carboxamide is CC(NC(=O)c1nc(-c2cc(Cl)c3ncccc3c2)c(-c2ccn(C)n2)nc1N)c1ccccn1.
What is the InChIKey of 3-amino-6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)-N-(1-pyridin-2-ylethyl)pyrazine-2-carboxamide?
The InChIKey is OGLVOAQHKKYQBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21ClN8O/c1-14(18-7-3-4-9-28-18)30-25(35)23-24(27)32-22(19-8-11-34(2)33-19)21(31-23)16-12-15-6-5-10-29-20(15)17(26)13-16/h3-14H,1-2H3,(H2,27,32)(H,30,35).
What are the key properties of 3-amino-6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)-N-(1-pyridin-2-ylethyl)pyrazine-2-carboxamide?
3-amino-6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)-N-(1-pyridin-2-ylethyl)pyrazine-2-carboxamide has a molecular weight of 484.95 g/mol, XLogP of 4.21, 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-pyridin-2-ylethyl)pyrazine-2-carboxamide is sourced from PubChem (CID 154604746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).