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

C24H24ClN7O — CID 137430749

IUPAC3-amino-6-(8-chloroquinolin-6-yl)-N-cyclohexyl-5-(1-methylpyrazol-3-yl)pyrazine-2-carboxamide
SMILESCn1ccc(-c2nc(N)c(C(=O)NC3CCCCC3)nc2-c2cc(Cl)c3ncccc3c2)n1
InChIInChI=1S/C24H24ClN7O/c1-32-11-9-18(31-32)21-20(15-12-14-6-5-10-27-19(14)17(25)13-15)29-22(23(26)30-21)24(33)28-16-7-3-2-4-8-16/h5-6,9-13,16H,2-4,7-8H2,1H3,(H2,26,30)(H,28,33)
InChIKeyZNABBYORTCUCGZ-UHFFFAOYSA-N
MW461.96 g/mol
LogP4.39
Rot. Bonds4

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

3-amino-6-(8-chloroquinolin-6-yl)-N-cyclohexyl-5-(1-methylpyrazol-3-yl)pyrazine-2-carboxamide (PubChem CID 137430749) has the molecular formula C24H24ClN7O and a molecular weight of 461.96 g/mol. Its IUPAC name is 3-amino-6-(8-chloroquinolin-6-yl)-N-cyclohexyl-5-(1-methylpyrazol-3-yl)pyrazine-2-carboxamide.

Molecular Properties

Compound Name3-amino-6-(8-chloroquinolin-6-yl)-N-cyclohexyl-5-(1-methylpyrazol-3-yl)pyrazine-2-carboxamide
PubChem CID137430749
Molecular FormulaC24H24ClN7O
Molecular Weight461.96 g/mol
Exact Mass461.17
IUPAC Name3-amino-6-(8-chloroquinolin-6-yl)-N-cyclohexyl-5-(1-methylpyrazol-3-yl)pyrazine-2-carboxamide
SMILESCn1ccc(-c2nc(N)c(C(=O)NC3CCCCC3)nc2-c2cc(Cl)c3ncccc3c2)n1
InChIInChI=1S/C24H24ClN7O/c1-32-11-9-18(31-32)21-20(15-12-14-6-5-10-27-19(14)17(25)13-15)29-22(23(26)30-21)24(33)28-16-7-3-2-4-8-16/h5-6,9-13,16H,2-4,7-8H2,1H3,(H2,26,30)(H,28,33)
InChIKeyZNABBYORTCUCGZ-UHFFFAOYSA-N
XLogP4.39
TPSA111.61 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.96
LogP ≤ 54.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-amino-6-(8-chloroquinolin-6-yl)-N-cyclohexyl-5-(1-methylpyrazol-3-yl)pyrazine-2-carboxamide?
The IUPAC name of 3-amino-6-(8-chloroquinolin-6-yl)-N-cyclohexyl-5-(1-methylpyrazol-3-yl)pyrazine-2-carboxamide (CID 137430749) is 3-amino-6-(8-chloroquinolin-6-yl)-N-cyclohexyl-5-(1-methylpyrazol-3-yl)pyrazine-2-carboxamide.
What is the SMILES notation for 3-amino-6-(8-chloroquinolin-6-yl)-N-cyclohexyl-5-(1-methylpyrazol-3-yl)pyrazine-2-carboxamide?
The canonical SMILES for 3-amino-6-(8-chloroquinolin-6-yl)-N-cyclohexyl-5-(1-methylpyrazol-3-yl)pyrazine-2-carboxamide is Cn1ccc(-c2nc(N)c(C(=O)NC3CCCCC3)nc2-c2cc(Cl)c3ncccc3c2)n1.
What is the InChIKey of 3-amino-6-(8-chloroquinolin-6-yl)-N-cyclohexyl-5-(1-methylpyrazol-3-yl)pyrazine-2-carboxamide?
The InChIKey is ZNABBYORTCUCGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24ClN7O/c1-32-11-9-18(31-32)21-20(15-12-14-6-5-10-27-19(14)17(25)13-15)29-22(23(26)30-21)24(33)28-16-7-3-2-4-8-16/h5-6,9-13,16H,2-4,7-8H2,1H3,(H2,26,30)(H,28,33).
What are the key properties of 3-amino-6-(8-chloroquinolin-6-yl)-N-cyclohexyl-5-(1-methylpyrazol-3-yl)pyrazine-2-carboxamide?
3-amino-6-(8-chloroquinolin-6-yl)-N-cyclohexyl-5-(1-methylpyrazol-3-yl)pyrazine-2-carboxamide has a molecular weight of 461.96 g/mol, XLogP of 4.39, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-6-(8-chloroquinolin-6-yl)-N-cyclohexyl-5-(1-methylpyrazol-3-yl)pyrazine-2-carboxamide is sourced from PubChem (CID 137430749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).