3-amino-6-(8-chloroquinolin-6-yl)-N-(4-fluorophenyl)-5-phenylpyrazine-2-carboxamide

C26H17ClFN5O — CID 137430443

IUPAC3-amino-6-(8-chloroquinolin-6-yl)-N-(4-fluorophenyl)-5-phenylpyrazine-2-carboxamide
SMILESNc1nc(-c2ccccc2)c(-c2cc(Cl)c3ncccc3c2)nc1C(=O)Nc1ccc(F)cc1
InChIInChI=1S/C26H17ClFN5O/c27-20-14-17(13-16-7-4-12-30-21(16)20)23-22(15-5-2-1-3-6-15)33-25(29)24(32-23)26(34)31-19-10-8-18(28)9-11-19/h1-14H,(H2,29,33)(H,31,34)
InChIKeyIODLXEVEKJVCFH-UHFFFAOYSA-N
MW469.91 g/mol
LogP5.99
Rot. Bonds4

About 3-amino-6-(8-chloroquinolin-6-yl)-N-(4-fluorophenyl)-5-phenylpyrazine-2-carboxamide

3-amino-6-(8-chloroquinolin-6-yl)-N-(4-fluorophenyl)-5-phenylpyrazine-2-carboxamide (PubChem CID 137430443) has the molecular formula C26H17ClFN5O and a molecular weight of 469.91 g/mol. Its IUPAC name is 3-amino-6-(8-chloroquinolin-6-yl)-N-(4-fluorophenyl)-5-phenylpyrazine-2-carboxamide.

Molecular Properties

Compound Name3-amino-6-(8-chloroquinolin-6-yl)-N-(4-fluorophenyl)-5-phenylpyrazine-2-carboxamide
PubChem CID137430443
Molecular FormulaC26H17ClFN5O
Molecular Weight469.91 g/mol
Exact Mass469.11
IUPAC Name3-amino-6-(8-chloroquinolin-6-yl)-N-(4-fluorophenyl)-5-phenylpyrazine-2-carboxamide
SMILESNc1nc(-c2ccccc2)c(-c2cc(Cl)c3ncccc3c2)nc1C(=O)Nc1ccc(F)cc1
InChIInChI=1S/C26H17ClFN5O/c27-20-14-17(13-16-7-4-12-30-21(16)20)23-22(15-5-2-1-3-6-15)33-25(29)24(32-23)26(34)31-19-10-8-18(28)9-11-19/h1-14H,(H2,29,33)(H,31,34)
InChIKeyIODLXEVEKJVCFH-UHFFFAOYSA-N
XLogP5.99
TPSA93.79 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500469.91
LogP ≤ 55.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-amino-6-(8-chloroquinolin-6-yl)-N-(4-fluorophenyl)-5-(1-methylpyrazol-3-yl)pyrazine-2-carboxamide
CID 137430751
3-amino-6-(8-chloroquinolin-6-yl)-N-cyclohexyl-5-phenylpyrazine-2-carboxamide
CID 137430775
cyclobutyl 3-amino-6-(8-chloroquinolin-6-yl)-5-phenylpyrazine-2-carboxylate
CID 137431024
5-(8-chloroquinolin-6-yl)-3,6-diphenylpyrazin-2-amine
CID 137431685
[3-amino-6-(8-chloroquinolin-6-yl)-5-phenylpyrazin-2-yl]-cyclohexylmethanone
CID 137430795
pyridin-3-yl 3-amino-6-(8-chloroquinolin-6-yl)-5-phenylpyrazine-2-carboxylate
CID 137430557
3-amino-6-(8-chloroquinolin-6-yl)-N-[2-(2-oxopyrrolidin-1-yl)ethyl]-5-phenylpyrazine-2-carboxamide
CID 137431697
N-[3-amino-6-(8-chloroquinolin-6-yl)-5-phenylpyrazin-2-yl]-2,2-dimethylpropanamide
CID 137430477
(4-methoxycarbonylphenyl)methyl 3-amino-6-(8-chloroquinolin-6-yl)-5-phenylpyrazine-2-carboxylate
CID 137431575
3-amino-6-(8-chloroquinolin-6-yl)-N-[(1S)-1-(6-cyano-2-pyridinyl)ethyl]-5-phenylpyrazine-2-carboxamide
CID 154604570
ethyl 6-[[[3-amino-6-(8-chloroquinolin-6-yl)-5-phenylpyrazine-2-carbonyl]amino]methyl]pyridine-3-carboxylate
CID 137431698
[3-amino-6-(8-chloroquinolin-6-yl)-5-phenylpyrazin-2-yl]-morpholin-3-ylmethanone
CID 137430801

Frequently Asked Questions

What is the IUPAC name of 3-amino-6-(8-chloroquinolin-6-yl)-N-(4-fluorophenyl)-5-phenylpyrazine-2-carboxamide?
The IUPAC name of 3-amino-6-(8-chloroquinolin-6-yl)-N-(4-fluorophenyl)-5-phenylpyrazine-2-carboxamide (CID 137430443) is 3-amino-6-(8-chloroquinolin-6-yl)-N-(4-fluorophenyl)-5-phenylpyrazine-2-carboxamide.
What is the SMILES notation for 3-amino-6-(8-chloroquinolin-6-yl)-N-(4-fluorophenyl)-5-phenylpyrazine-2-carboxamide?
The canonical SMILES for 3-amino-6-(8-chloroquinolin-6-yl)-N-(4-fluorophenyl)-5-phenylpyrazine-2-carboxamide is Nc1nc(-c2ccccc2)c(-c2cc(Cl)c3ncccc3c2)nc1C(=O)Nc1ccc(F)cc1.
What is the InChIKey of 3-amino-6-(8-chloroquinolin-6-yl)-N-(4-fluorophenyl)-5-phenylpyrazine-2-carboxamide?
The InChIKey is IODLXEVEKJVCFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H17ClFN5O/c27-20-14-17(13-16-7-4-12-30-21(16)20)23-22(15-5-2-1-3-6-15)33-25(29)24(32-23)26(34)31-19-10-8-18(28)9-11-19/h1-14H,(H2,29,33)(H,31,34).
What are the key properties of 3-amino-6-(8-chloroquinolin-6-yl)-N-(4-fluorophenyl)-5-phenylpyrazine-2-carboxamide?
3-amino-6-(8-chloroquinolin-6-yl)-N-(4-fluorophenyl)-5-phenylpyrazine-2-carboxamide has a molecular weight of 469.91 g/mol, XLogP of 5.99, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-6-(8-chloroquinolin-6-yl)-N-(4-fluorophenyl)-5-phenylpyrazine-2-carboxamide is sourced from PubChem (CID 137430443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).