(2-methoxyphenyl)-phenyl-[3-(4-pyridin-4-ylpiperazin-1-yl)-2-pyridinyl]methanol

C28H28N4O2 — CID 90646327

IUPAC(2-methoxyphenyl)-phenyl-[3-(4-pyridin-4-ylpiperazin-1-yl)-2-pyridinyl]methanol
SMILESCOc1ccccc1C(O)(c1ccccc1)c1ncccc1N1CCN(c2ccncc2)CC1
InChIInChI=1S/C28H28N4O2/c1-34-26-12-6-5-10-24(26)28(33,22-8-3-2-4-9-22)27-25(11-7-15-30-27)32-20-18-31(19-21-32)23-13-16-29-17-14-23/h2-17,33H,18-21H2,1H3
InChIKeyYOJJZPDQGLTBRV-UHFFFAOYSA-N
MW452.56 g/mol
LogP4.10
Rot. Bonds6

About (2-methoxyphenyl)-phenyl-[3-(4-pyridin-4-ylpiperazin-1-yl)-2-pyridinyl]methanol

(2-methoxyphenyl)-phenyl-[3-(4-pyridin-4-ylpiperazin-1-yl)-2-pyridinyl]methanol (PubChem CID 90646327) has the molecular formula C28H28N4O2 and a molecular weight of 452.56 g/mol. Its IUPAC name is (2-methoxyphenyl)-phenyl-[3-(4-pyridin-4-ylpiperazin-1-yl)-2-pyridinyl]methanol.

Molecular Properties

Compound Name(2-methoxyphenyl)-phenyl-[3-(4-pyridin-4-ylpiperazin-1-yl)-2-pyridinyl]methanol
PubChem CID90646327
Molecular FormulaC28H28N4O2
Molecular Weight452.56 g/mol
Exact Mass452.22
IUPAC Name(2-methoxyphenyl)-phenyl-[3-(4-pyridin-4-ylpiperazin-1-yl)-2-pyridinyl]methanol
SMILESCOc1ccccc1C(O)(c1ccccc1)c1ncccc1N1CCN(c2ccncc2)CC1
InChIInChI=1S/C28H28N4O2/c1-34-26-12-6-5-10-24(26)28(33,22-8-3-2-4-9-22)27-25(11-7-15-30-27)32-20-18-31(19-21-32)23-13-16-29-17-14-23/h2-17,33H,18-21H2,1H3
InChIKeyYOJJZPDQGLTBRV-UHFFFAOYSA-N
XLogP4.10
TPSA61.72 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.56
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (2-methoxyphenyl)-phenyl-[3-(4-pyridin-4-ylpiperazin-1-yl)-2-pyridinyl]methanol?
The IUPAC name of (2-methoxyphenyl)-phenyl-[3-(4-pyridin-4-ylpiperazin-1-yl)-2-pyridinyl]methanol (CID 90646327) is (2-methoxyphenyl)-phenyl-[3-(4-pyridin-4-ylpiperazin-1-yl)-2-pyridinyl]methanol.
What is the SMILES notation for (2-methoxyphenyl)-phenyl-[3-(4-pyridin-4-ylpiperazin-1-yl)-2-pyridinyl]methanol?
The canonical SMILES for (2-methoxyphenyl)-phenyl-[3-(4-pyridin-4-ylpiperazin-1-yl)-2-pyridinyl]methanol is COc1ccccc1C(O)(c1ccccc1)c1ncccc1N1CCN(c2ccncc2)CC1.
What is the InChIKey of (2-methoxyphenyl)-phenyl-[3-(4-pyridin-4-ylpiperazin-1-yl)-2-pyridinyl]methanol?
The InChIKey is YOJJZPDQGLTBRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H28N4O2/c1-34-26-12-6-5-10-24(26)28(33,22-8-3-2-4-9-22)27-25(11-7-15-30-27)32-20-18-31(19-21-32)23-13-16-29-17-14-23/h2-17,33H,18-21H2,1H3.
What are the key properties of (2-methoxyphenyl)-phenyl-[3-(4-pyridin-4-ylpiperazin-1-yl)-2-pyridinyl]methanol?
(2-methoxyphenyl)-phenyl-[3-(4-pyridin-4-ylpiperazin-1-yl)-2-pyridinyl]methanol has a molecular weight of 452.56 g/mol, XLogP of 4.10, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methoxyphenyl)-phenyl-[3-(4-pyridin-4-ylpiperazin-1-yl)-2-pyridinyl]methanol is sourced from PubChem (CID 90646327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).