3-amino-6-(8-chloroquinolin-6-yl)-N-[1-(6-cyano-2-pyridinyl)ethyl]-5-(1-methylpyrazol-3-yl)pyrazine-2-carboxamide

C26H20ClN9O — CID 154604614

IUPAC3-amino-6-(8-chloroquinolin-6-yl)-N-[1-(6-cyano-2-pyridinyl)ethyl]-5-(1-methylpyrazol-3-yl)pyrazine-2-carboxamide
SMILESCC(NC(=O)c1nc(-c2cc(Cl)c3ncccc3c2)c(-c2ccn(C)n2)nc1N)c1cccc(C#N)n1
InChIInChI=1S/C26H20ClN9O/c1-14(19-7-3-6-17(13-28)32-19)31-26(37)24-25(29)34-23(20-8-10-36(2)35-20)22(33-24)16-11-15-5-4-9-30-21(15)18(27)12-16/h3-12,14H,1-2H3,(H2,29,34)(H,31,37)
InChIKeyQNEZJBCKGZEKHO-UHFFFAOYSA-N
MW509.96 g/mol
LogP4.09
Rot. Bonds5

About 3-amino-6-(8-chloroquinolin-6-yl)-N-[1-(6-cyano-2-pyridinyl)ethyl]-5-(1-methylpyrazol-3-yl)pyrazine-2-carboxamide

3-amino-6-(8-chloroquinolin-6-yl)-N-[1-(6-cyano-2-pyridinyl)ethyl]-5-(1-methylpyrazol-3-yl)pyrazine-2-carboxamide (PubChem CID 154604614) has the molecular formula C26H20ClN9O and a molecular weight of 509.96 g/mol. Its IUPAC name is 3-amino-6-(8-chloroquinolin-6-yl)-N-[1-(6-cyano-2-pyridinyl)ethyl]-5-(1-methylpyrazol-3-yl)pyrazine-2-carboxamide.

Molecular Properties

Compound Name3-amino-6-(8-chloroquinolin-6-yl)-N-[1-(6-cyano-2-pyridinyl)ethyl]-5-(1-methylpyrazol-3-yl)pyrazine-2-carboxamide
PubChem CID154604614
Molecular FormulaC26H20ClN9O
Molecular Weight509.96 g/mol
Exact Mass509.15
IUPAC Name3-amino-6-(8-chloroquinolin-6-yl)-N-[1-(6-cyano-2-pyridinyl)ethyl]-5-(1-methylpyrazol-3-yl)pyrazine-2-carboxamide
SMILESCC(NC(=O)c1nc(-c2cc(Cl)c3ncccc3c2)c(-c2ccn(C)n2)nc1N)c1cccc(C#N)n1
InChIInChI=1S/C26H20ClN9O/c1-14(19-7-3-6-17(13-28)32-19)31-26(37)24-25(29)34-23(20-8-10-36(2)35-20)22(33-24)16-11-15-5-4-9-30-21(15)18(27)12-16/h3-12,14H,1-2H3,(H2,29,34)(H,31,37)
InChIKeyQNEZJBCKGZEKHO-UHFFFAOYSA-N
XLogP4.09
TPSA148.29 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500509.96
LogP ≤ 54.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze 3-amino-6-(8-chloroquinolin-6-yl)-N-[1-(6-cyano-2-pyridinyl)ethyl]-5-(1-methylpyrazol-3-yl)pyrazine-2-carboxamide with MolForge

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Related Compounds

N-(2-amino-5,6,7,8-tetrahydroquinolin-5-yl)-1-[(2-methylquinolin-6-yl)methyl]triazole-4-carboxamide
CID 129103576
3-amino-6-(7-chloro-1H-indazol-5-yl)-5-(4-fluorophenyl)-N-(1-pyridin-2-ylethyl)pyrazine-2-carboxamide
CID 154996395
N-((6-Amino-4-chloro-2-methylpyridin-3-yl)methyl)-1-((2-methylquinolin-6-yl)methyl)-1H-1,2,3-triazole-4-carboxamide
CID 56836060
N-((6-amino-2,4-dimethylpyridin-3-yl)methyl)-1-((7-chloroquinolin-2-yl)methyl)-1H-pyrazole-4-carboxamide
CID 58081168
Plasma kallikrein-IN-4
CID 58081326
N-((6-amino-2,4-dimethylpyridin-3-yl)methyl)-1-((7-chloroquinolin-2-yl)methyl)-1H-1,2,3-triazole-4-carboxamide
CID 58081333
US10301284, Example 15
CID 134177981
US10301284, Example 54
CID 134178037
US10301284, Example 22
CID 134178489
US10301284, Example 52
CID 134178556
US10301284, Example 91
CID 134178601
US10301284, Example 115
CID 134178693

Frequently Asked Questions

What is the IUPAC name of 3-amino-6-(8-chloroquinolin-6-yl)-N-[1-(6-cyano-2-pyridinyl)ethyl]-5-(1-methylpyrazol-3-yl)pyrazine-2-carboxamide?
The IUPAC name of 3-amino-6-(8-chloroquinolin-6-yl)-N-[1-(6-cyano-2-pyridinyl)ethyl]-5-(1-methylpyrazol-3-yl)pyrazine-2-carboxamide (CID 154604614) is 3-amino-6-(8-chloroquinolin-6-yl)-N-[1-(6-cyano-2-pyridinyl)ethyl]-5-(1-methylpyrazol-3-yl)pyrazine-2-carboxamide.
What is the SMILES notation for 3-amino-6-(8-chloroquinolin-6-yl)-N-[1-(6-cyano-2-pyridinyl)ethyl]-5-(1-methylpyrazol-3-yl)pyrazine-2-carboxamide?
The canonical SMILES for 3-amino-6-(8-chloroquinolin-6-yl)-N-[1-(6-cyano-2-pyridinyl)ethyl]-5-(1-methylpyrazol-3-yl)pyrazine-2-carboxamide is CC(NC(=O)c1nc(-c2cc(Cl)c3ncccc3c2)c(-c2ccn(C)n2)nc1N)c1cccc(C#N)n1.
What is the InChIKey of 3-amino-6-(8-chloroquinolin-6-yl)-N-[1-(6-cyano-2-pyridinyl)ethyl]-5-(1-methylpyrazol-3-yl)pyrazine-2-carboxamide?
The InChIKey is QNEZJBCKGZEKHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H20ClN9O/c1-14(19-7-3-6-17(13-28)32-19)31-26(37)24-25(29)34-23(20-8-10-36(2)35-20)22(33-24)16-11-15-5-4-9-30-21(15)18(27)12-16/h3-12,14H,1-2H3,(H2,29,34)(H,31,37).
What are the key properties of 3-amino-6-(8-chloroquinolin-6-yl)-N-[1-(6-cyano-2-pyridinyl)ethyl]-5-(1-methylpyrazol-3-yl)pyrazine-2-carboxamide?
3-amino-6-(8-chloroquinolin-6-yl)-N-[1-(6-cyano-2-pyridinyl)ethyl]-5-(1-methylpyrazol-3-yl)pyrazine-2-carboxamide has a molecular weight of 509.96 g/mol, XLogP of 4.09, 5 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-6-(8-chloroquinolin-6-yl)-N-[1-(6-cyano-2-pyridinyl)ethyl]-5-(1-methylpyrazol-3-yl)pyrazine-2-carboxamide is sourced from PubChem (CID 154604614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).