[4-[5-amino-6-(6-methoxy-1H-benzimidazol-2-yl)pyrazin-2-yl]phenyl]-piperazin-1-ylmethanone

C23H23N7O2 — CID 154700400

IUPAC[4-[5-amino-6-(6-methoxy-1H-benzimidazol-2-yl)pyrazin-2-yl]phenyl]-piperazin-1-ylmethanone
SMILESCOc1ccc2nc(-c3nc(-c4ccc(C(=O)N5CCNCC5)cc4)cnc3N)[nH]c2c1
InChIInChI=1S/C23H23N7O2/c1-32-16-6-7-17-18(12-16)29-22(28-17)20-21(24)26-13-19(27-20)14-2-4-15(5-3-14)23(31)30-10-8-25-9-11-30/h2-7,12-13,25H,8-11H2,1H3,(H2,24,26)(H,28,29)
InChIKeyLIIRDGGRAWPIMD-UHFFFAOYSA-N
MW429.48 g/mol
LogP2.32
Rot. Bonds4

About [4-[5-amino-6-(6-methoxy-1H-benzimidazol-2-yl)pyrazin-2-yl]phenyl]-piperazin-1-ylmethanone

[4-[5-amino-6-(6-methoxy-1H-benzimidazol-2-yl)pyrazin-2-yl]phenyl]-piperazin-1-ylmethanone (PubChem CID 154700400) has the molecular formula C23H23N7O2 and a molecular weight of 429.48 g/mol. Its IUPAC name is [4-[5-amino-6-(6-methoxy-1H-benzimidazol-2-yl)pyrazin-2-yl]phenyl]-piperazin-1-ylmethanone.

Molecular Properties

Compound Name[4-[5-amino-6-(6-methoxy-1H-benzimidazol-2-yl)pyrazin-2-yl]phenyl]-piperazin-1-ylmethanone
PubChem CID154700400
Molecular FormulaC23H23N7O2
Molecular Weight429.48 g/mol
Exact Mass429.19
IUPAC Name[4-[5-amino-6-(6-methoxy-1H-benzimidazol-2-yl)pyrazin-2-yl]phenyl]-piperazin-1-ylmethanone
SMILESCOc1ccc2nc(-c3nc(-c4ccc(C(=O)N5CCNCC5)cc4)cnc3N)[nH]c2c1
InChIInChI=1S/C23H23N7O2/c1-32-16-6-7-17-18(12-16)29-22(28-17)20-21(24)26-13-19(27-20)14-2-4-15(5-3-14)23(31)30-10-8-25-9-11-30/h2-7,12-13,25H,8-11H2,1H3,(H2,24,26)(H,28,29)
InChIKeyLIIRDGGRAWPIMD-UHFFFAOYSA-N
XLogP2.32
TPSA122.05 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.48
LogP ≤ 52.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [4-[5-amino-6-(6-methoxy-1H-benzimidazol-2-yl)pyrazin-2-yl]phenyl]-piperazin-1-ylmethanone?
The IUPAC name of [4-[5-amino-6-(6-methoxy-1H-benzimidazol-2-yl)pyrazin-2-yl]phenyl]-piperazin-1-ylmethanone (CID 154700400) is [4-[5-amino-6-(6-methoxy-1H-benzimidazol-2-yl)pyrazin-2-yl]phenyl]-piperazin-1-ylmethanone.
What is the SMILES notation for [4-[5-amino-6-(6-methoxy-1H-benzimidazol-2-yl)pyrazin-2-yl]phenyl]-piperazin-1-ylmethanone?
The canonical SMILES for [4-[5-amino-6-(6-methoxy-1H-benzimidazol-2-yl)pyrazin-2-yl]phenyl]-piperazin-1-ylmethanone is COc1ccc2nc(-c3nc(-c4ccc(C(=O)N5CCNCC5)cc4)cnc3N)[nH]c2c1.
What is the InChIKey of [4-[5-amino-6-(6-methoxy-1H-benzimidazol-2-yl)pyrazin-2-yl]phenyl]-piperazin-1-ylmethanone?
The InChIKey is LIIRDGGRAWPIMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N7O2/c1-32-16-6-7-17-18(12-16)29-22(28-17)20-21(24)26-13-19(27-20)14-2-4-15(5-3-14)23(31)30-10-8-25-9-11-30/h2-7,12-13,25H,8-11H2,1H3,(H2,24,26)(H,28,29).
What are the key properties of [4-[5-amino-6-(6-methoxy-1H-benzimidazol-2-yl)pyrazin-2-yl]phenyl]-piperazin-1-ylmethanone?
[4-[5-amino-6-(6-methoxy-1H-benzimidazol-2-yl)pyrazin-2-yl]phenyl]-piperazin-1-ylmethanone has a molecular weight of 429.48 g/mol, XLogP of 2.32, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[5-amino-6-(6-methoxy-1H-benzimidazol-2-yl)pyrazin-2-yl]phenyl]-piperazin-1-ylmethanone is sourced from PubChem (CID 154700400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).