[6-[3-fluoro-4-(1-propan-2-ylimidazol-2-yl)phenyl]pyrazin-2-yl]-(4-methylpiperazin-1-yl)methanone

C22H25FN6O — CID 165420698

IUPAC[6-[3-fluoro-4-(1-propan-2-ylimidazol-2-yl)phenyl]pyrazin-2-yl]-(4-methylpiperazin-1-yl)methanone
SMILESCC(C)n1ccnc1-c1ccc(-c2cncc(C(=O)N3CCN(C)CC3)n2)cc1F
InChIInChI=1S/C22H25FN6O/c1-15(2)29-7-6-25-21(29)17-5-4-16(12-18(17)23)19-13-24-14-20(26-19)22(30)28-10-8-27(3)9-11-28/h4-7,12-15H,8-11H2,1-3H3
InChIKeyFHAOANLTLQRKEN-UHFFFAOYSA-N
MW408.48 g/mol
LogP3.11
Rot. Bonds4

About [6-[3-fluoro-4-(1-propan-2-ylimidazol-2-yl)phenyl]pyrazin-2-yl]-(4-methylpiperazin-1-yl)methanone

[6-[3-fluoro-4-(1-propan-2-ylimidazol-2-yl)phenyl]pyrazin-2-yl]-(4-methylpiperazin-1-yl)methanone (PubChem CID 165420698) has the molecular formula C22H25FN6O and a molecular weight of 408.48 g/mol. Its IUPAC name is [6-[3-fluoro-4-(1-propan-2-ylimidazol-2-yl)phenyl]pyrazin-2-yl]-(4-methylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name[6-[3-fluoro-4-(1-propan-2-ylimidazol-2-yl)phenyl]pyrazin-2-yl]-(4-methylpiperazin-1-yl)methanone
PubChem CID165420698
Molecular FormulaC22H25FN6O
Molecular Weight408.48 g/mol
Exact Mass408.21
IUPAC Name[6-[3-fluoro-4-(1-propan-2-ylimidazol-2-yl)phenyl]pyrazin-2-yl]-(4-methylpiperazin-1-yl)methanone
SMILESCC(C)n1ccnc1-c1ccc(-c2cncc(C(=O)N3CCN(C)CC3)n2)cc1F
InChIInChI=1S/C22H25FN6O/c1-15(2)29-7-6-25-21(29)17-5-4-16(12-18(17)23)19-13-24-14-20(26-19)22(30)28-10-8-27(3)9-11-28/h4-7,12-15H,8-11H2,1-3H3
InChIKeyFHAOANLTLQRKEN-UHFFFAOYSA-N
XLogP3.11
TPSA67.15 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.48
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

(4-methylpiperazin-1-yl)-[6-(1H-pyrrolo[2,3-b]pyridin-5-yl)pyrazin-2-yl]methanone
CID 66556102
[6-(2,3-dimethylphenyl)pyrazin-2-yl]-(4-methylpiperazin-1-yl)methanone
CID 50948310
(4-methylpiperazin-1-yl)-(6-naphthalen-1-ylpyrazin-2-yl)methanone
CID 119060088
(3-fluoro-4-imidazo[1,2-a]pyridin-6-ylphenyl)-(4-methylpiperazin-1-yl)methanone
CID 141381358
(4-methylpiperazin-1-yl)-[6-(4-propan-2-yl-1,4-diazepan-1-yl)pyrazin-2-yl]methanone
CID 134709347
[7-(2-amino-1,3-benzoxazol-5-yl)quinoxalin-2-yl]-(4-methylpiperazin-1-yl)methanone
CID 70798533
2-propan-2-yl-5-[4-(pyrazine-2-carbonyl)piperazine-1-carbonyl]isoindole-1,3-dione
CID 108534932
(4-methylpiperazin-1-yl)-(1-propan-2-ylpyrazol-3-yl)methanone
CID 59729279
5-(1-propan-2-ylimidazol-2-yl)benzene-1,3-dicarboxylic acid
CID 122560785
(4-methylpiperazin-1-yl)-(1-methylpyrazol-3-yl)methanone
CID 2172453
[6-(1-methylpyrazol-4-yl)pyrazin-2-yl]-morpholin-4-ylmethanone
CID 122560717
[6-(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)pyrazin-2-yl]-piperazin-1-ylmethanone
CID 66555424

Frequently Asked Questions

What is the IUPAC name of [6-[3-fluoro-4-(1-propan-2-ylimidazol-2-yl)phenyl]pyrazin-2-yl]-(4-methylpiperazin-1-yl)methanone?
The IUPAC name of [6-[3-fluoro-4-(1-propan-2-ylimidazol-2-yl)phenyl]pyrazin-2-yl]-(4-methylpiperazin-1-yl)methanone (CID 165420698) is [6-[3-fluoro-4-(1-propan-2-ylimidazol-2-yl)phenyl]pyrazin-2-yl]-(4-methylpiperazin-1-yl)methanone.
What is the SMILES notation for [6-[3-fluoro-4-(1-propan-2-ylimidazol-2-yl)phenyl]pyrazin-2-yl]-(4-methylpiperazin-1-yl)methanone?
The canonical SMILES for [6-[3-fluoro-4-(1-propan-2-ylimidazol-2-yl)phenyl]pyrazin-2-yl]-(4-methylpiperazin-1-yl)methanone is CC(C)n1ccnc1-c1ccc(-c2cncc(C(=O)N3CCN(C)CC3)n2)cc1F.
What is the InChIKey of [6-[3-fluoro-4-(1-propan-2-ylimidazol-2-yl)phenyl]pyrazin-2-yl]-(4-methylpiperazin-1-yl)methanone?
The InChIKey is FHAOANLTLQRKEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25FN6O/c1-15(2)29-7-6-25-21(29)17-5-4-16(12-18(17)23)19-13-24-14-20(26-19)22(30)28-10-8-27(3)9-11-28/h4-7,12-15H,8-11H2,1-3H3.
What are the key properties of [6-[3-fluoro-4-(1-propan-2-ylimidazol-2-yl)phenyl]pyrazin-2-yl]-(4-methylpiperazin-1-yl)methanone?
[6-[3-fluoro-4-(1-propan-2-ylimidazol-2-yl)phenyl]pyrazin-2-yl]-(4-methylpiperazin-1-yl)methanone has a molecular weight of 408.48 g/mol, XLogP of 3.11, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [6-[3-fluoro-4-(1-propan-2-ylimidazol-2-yl)phenyl]pyrazin-2-yl]-(4-methylpiperazin-1-yl)methanone is sourced from PubChem (CID 165420698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).