[5-(2-chloroanilino)pyrazin-2-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone

C19H18ClN7O — CID 109286673

IUPAC[5-(2-chloroanilino)pyrazin-2-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
SMILESO=C(c1cnc(Nc2ccccc2Cl)cn1)N1CCN(c2ncccn2)CC1
InChIInChI=1S/C19H18ClN7O/c20-14-4-1-2-5-15(14)25-17-13-23-16(12-24-17)18(28)26-8-10-27(11-9-26)19-21-6-3-7-22-19/h1-7,12-13H,8-11H2,(H,24,25)
InChIKeyPBBFRDOFGUPHKU-UHFFFAOYSA-N
MW395.85 g/mol
LogP2.63
Rot. Bonds4

About [5-(2-chloroanilino)pyrazin-2-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone

[5-(2-chloroanilino)pyrazin-2-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone (PubChem CID 109286673) has the molecular formula C19H18ClN7O and a molecular weight of 395.85 g/mol. Its IUPAC name is [5-(2-chloroanilino)pyrazin-2-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name[5-(2-chloroanilino)pyrazin-2-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
PubChem CID109286673
Molecular FormulaC19H18ClN7O
Molecular Weight395.85 g/mol
Exact Mass395.13
IUPAC Name[5-(2-chloroanilino)pyrazin-2-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
SMILESO=C(c1cnc(Nc2ccccc2Cl)cn1)N1CCN(c2ncccn2)CC1
InChIInChI=1S/C19H18ClN7O/c20-14-4-1-2-5-15(14)25-17-13-23-16(12-24-17)18(28)26-8-10-27(11-9-26)19-21-6-3-7-22-19/h1-7,12-13H,8-11H2,(H,24,25)
InChIKeyPBBFRDOFGUPHKU-UHFFFAOYSA-N
XLogP2.63
TPSA87.14 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.85
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

[5-(2-chloroanilino)pyrazin-2-yl]-(4-methylpiperazin-1-yl)methanone
CID 109278166
[5-(2,3-dichloroanilino)pyrazin-2-yl]-pyrrolidin-1-ylmethanone
CID 109273678
[5-(2,3-dichloroanilino)pyrazin-2-yl]-(4-methylpiperazin-1-yl)methanone
CID 109278233
[5-(propan-2-ylamino)pyrazin-2-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 109271423
[5-(2-methoxyanilino)pyrazin-2-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 109286594
1-[4-[5-(2-methylanilino)pyrazine-2-carbonyl]piperazin-1-yl]ethanone
CID 109279080
[5-(2,3-dimethylanilino)pyrazin-2-yl]-(4-phenylpiperazin-1-yl)methanone
CID 109285519
[4-[4-(2-chloroanilino)pyrimidin-2-yl]piperazin-1-yl]-(3-chlorophenyl)methanone
CID 134796457
[5-(2-tert-butylanilino)pyrazin-2-yl]-pyrrolidin-1-ylmethanone
CID 109273606
[5-(2-methylanilino)-2-pyridinyl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 109194521
[5-(3-methylbutylamino)pyrazin-2-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 109286649
[5-(4-pyrimidin-2-ylpiperazin-1-yl)pyrazin-2-yl]-pyrrolidin-1-ylmethanone
CID 109273565

Frequently Asked Questions

What is the IUPAC name of [5-(2-chloroanilino)pyrazin-2-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone?
The IUPAC name of [5-(2-chloroanilino)pyrazin-2-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone (CID 109286673) is [5-(2-chloroanilino)pyrazin-2-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone.
What is the SMILES notation for [5-(2-chloroanilino)pyrazin-2-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone?
The canonical SMILES for [5-(2-chloroanilino)pyrazin-2-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone is O=C(c1cnc(Nc2ccccc2Cl)cn1)N1CCN(c2ncccn2)CC1.
What is the InChIKey of [5-(2-chloroanilino)pyrazin-2-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone?
The InChIKey is PBBFRDOFGUPHKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClN7O/c20-14-4-1-2-5-15(14)25-17-13-23-16(12-24-17)18(28)26-8-10-27(11-9-26)19-21-6-3-7-22-19/h1-7,12-13H,8-11H2,(H,24,25).
What are the key properties of [5-(2-chloroanilino)pyrazin-2-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone?
[5-(2-chloroanilino)pyrazin-2-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone has a molecular weight of 395.85 g/mol, XLogP of 2.63, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(2-chloroanilino)pyrazin-2-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone is sourced from PubChem (CID 109286673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).