[3-amino-6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)pyrazin-2-yl]-(4-methylphenyl)methanone

C25H19ClN6O — CID 137431566

IUPAC[3-amino-6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)pyrazin-2-yl]-(4-methylphenyl)methanone
SMILESCc1ccc(C(=O)c2nc(-c3cc(Cl)c4ncccc4c3)c(-c3ccn(C)n3)nc2N)cc1
InChIInChI=1S/C25H19ClN6O/c1-14-5-7-15(8-6-14)24(33)23-25(27)30-22(19-9-11-32(2)31-19)21(29-23)17-12-16-4-3-10-28-20(16)18(26)13-17/h3-13H,1-2H3,(H2,27,30)
InChIKeyCRMZGMUTVDLVHP-UHFFFAOYSA-N
MW454.92 g/mol
LogP4.87
Rot. Bonds4

About [3-amino-6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)pyrazin-2-yl]-(4-methylphenyl)methanone

[3-amino-6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)pyrazin-2-yl]-(4-methylphenyl)methanone (PubChem CID 137431566) has the molecular formula C25H19ClN6O and a molecular weight of 454.92 g/mol. Its IUPAC name is [3-amino-6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)pyrazin-2-yl]-(4-methylphenyl)methanone.

Molecular Properties

Compound Name[3-amino-6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)pyrazin-2-yl]-(4-methylphenyl)methanone
PubChem CID137431566
Molecular FormulaC25H19ClN6O
Molecular Weight454.92 g/mol
Exact Mass454.13
IUPAC Name[3-amino-6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)pyrazin-2-yl]-(4-methylphenyl)methanone
SMILESCc1ccc(C(=O)c2nc(-c3cc(Cl)c4ncccc4c3)c(-c3ccn(C)n3)nc2N)cc1
InChIInChI=1S/C25H19ClN6O/c1-14-5-7-15(8-6-14)24(33)23-25(27)30-22(19-9-11-32(2)31-19)21(29-23)17-12-16-4-3-10-28-20(16)18(26)13-17/h3-13H,1-2H3,(H2,27,30)
InChIKeyCRMZGMUTVDLVHP-UHFFFAOYSA-N
XLogP4.87
TPSA99.58 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.92
LogP ≤ 54.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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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)pyrazin-2-yl]-(4-methylphenyl)methanone?
The IUPAC name of [3-amino-6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)pyrazin-2-yl]-(4-methylphenyl)methanone (CID 137431566) is [3-amino-6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)pyrazin-2-yl]-(4-methylphenyl)methanone.
What is the SMILES notation for [3-amino-6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)pyrazin-2-yl]-(4-methylphenyl)methanone?
The canonical SMILES for [3-amino-6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)pyrazin-2-yl]-(4-methylphenyl)methanone is Cc1ccc(C(=O)c2nc(-c3cc(Cl)c4ncccc4c3)c(-c3ccn(C)n3)nc2N)cc1.
What is the InChIKey of [3-amino-6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)pyrazin-2-yl]-(4-methylphenyl)methanone?
The InChIKey is CRMZGMUTVDLVHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19ClN6O/c1-14-5-7-15(8-6-14)24(33)23-25(27)30-22(19-9-11-32(2)31-19)21(29-23)17-12-16-4-3-10-28-20(16)18(26)13-17/h3-13H,1-2H3,(H2,27,30).
What are the key properties of [3-amino-6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)pyrazin-2-yl]-(4-methylphenyl)methanone?
[3-amino-6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)pyrazin-2-yl]-(4-methylphenyl)methanone has a molecular weight of 454.92 g/mol, XLogP of 4.87, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [3-amino-6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)pyrazin-2-yl]-(4-methylphenyl)methanone is sourced from PubChem (CID 137431566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).