[4-[6-amino-5-(6-methoxy-3-pyridinyl)-3-pyridinyl]phenyl]-(4-methylpiperazin-1-yl)methanone

C23H25N5O2 — CID 53311068

IUPAC[4-[6-amino-5-(6-methoxy-3-pyridinyl)-3-pyridinyl]phenyl]-(4-methylpiperazin-1-yl)methanone
SMILESCOc1ccc(-c2cc(-c3ccc(C(=O)N4CCN(C)CC4)cc3)cnc2N)cn1
InChIInChI=1S/C23H25N5O2/c1-27-9-11-28(12-10-27)23(29)17-5-3-16(4-6-17)19-13-20(22(24)26-15-19)18-7-8-21(30-2)25-14-18/h3-8,13-15H,9-12H2,1-2H3,(H2,24,26)
InChIKeyOXIDYTIVZKKPRS-UHFFFAOYSA-N
MW403.49 g/mol
LogP2.79
Rot. Bonds4

About [4-[6-amino-5-(6-methoxy-3-pyridinyl)-3-pyridinyl]phenyl]-(4-methylpiperazin-1-yl)methanone

[4-[6-amino-5-(6-methoxy-3-pyridinyl)-3-pyridinyl]phenyl]-(4-methylpiperazin-1-yl)methanone (PubChem CID 53311068) has the molecular formula C23H25N5O2 and a molecular weight of 403.49 g/mol. Its IUPAC name is [4-[6-amino-5-(6-methoxy-3-pyridinyl)-3-pyridinyl]phenyl]-(4-methylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name[4-[6-amino-5-(6-methoxy-3-pyridinyl)-3-pyridinyl]phenyl]-(4-methylpiperazin-1-yl)methanone
PubChem CID53311068
Molecular FormulaC23H25N5O2
Molecular Weight403.49 g/mol
Exact Mass403.20
IUPAC Name[4-[6-amino-5-(6-methoxy-3-pyridinyl)-3-pyridinyl]phenyl]-(4-methylpiperazin-1-yl)methanone
SMILESCOc1ccc(-c2cc(-c3ccc(C(=O)N4CCN(C)CC4)cc3)cnc2N)cn1
InChIInChI=1S/C23H25N5O2/c1-27-9-11-28(12-10-27)23(29)17-5-3-16(4-6-17)19-13-20(22(24)26-15-19)18-7-8-21(30-2)25-14-18/h3-8,13-15H,9-12H2,1-2H3,(H2,24,26)
InChIKeyOXIDYTIVZKKPRS-UHFFFAOYSA-N
XLogP2.79
TPSA84.58 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.49
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [4-[6-amino-5-(6-methoxy-3-pyridinyl)-3-pyridinyl]phenyl]-(4-methylpiperazin-1-yl)methanone?
The IUPAC name of [4-[6-amino-5-(6-methoxy-3-pyridinyl)-3-pyridinyl]phenyl]-(4-methylpiperazin-1-yl)methanone (CID 53311068) is [4-[6-amino-5-(6-methoxy-3-pyridinyl)-3-pyridinyl]phenyl]-(4-methylpiperazin-1-yl)methanone.
What is the SMILES notation for [4-[6-amino-5-(6-methoxy-3-pyridinyl)-3-pyridinyl]phenyl]-(4-methylpiperazin-1-yl)methanone?
The canonical SMILES for [4-[6-amino-5-(6-methoxy-3-pyridinyl)-3-pyridinyl]phenyl]-(4-methylpiperazin-1-yl)methanone is COc1ccc(-c2cc(-c3ccc(C(=O)N4CCN(C)CC4)cc3)cnc2N)cn1.
What is the InChIKey of [4-[6-amino-5-(6-methoxy-3-pyridinyl)-3-pyridinyl]phenyl]-(4-methylpiperazin-1-yl)methanone?
The InChIKey is OXIDYTIVZKKPRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N5O2/c1-27-9-11-28(12-10-27)23(29)17-5-3-16(4-6-17)19-13-20(22(24)26-15-19)18-7-8-21(30-2)25-14-18/h3-8,13-15H,9-12H2,1-2H3,(H2,24,26).
What are the key properties of [4-[6-amino-5-(6-methoxy-3-pyridinyl)-3-pyridinyl]phenyl]-(4-methylpiperazin-1-yl)methanone?
[4-[6-amino-5-(6-methoxy-3-pyridinyl)-3-pyridinyl]phenyl]-(4-methylpiperazin-1-yl)methanone has a molecular weight of 403.49 g/mol, XLogP of 2.79, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[6-amino-5-(6-methoxy-3-pyridinyl)-3-pyridinyl]phenyl]-(4-methylpiperazin-1-yl)methanone is sourced from PubChem (CID 53311068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).