2-[6-[4-[2-[4-(5-methoxy-3-pyridinyl)phenyl]-3-methylbutan-2-yl]phenyl]pyridazin-3-yl]propan-2-ol

C30H33N3O2 — CID 25212572

IUPAC2-[6-[4-[2-[4-(5-methoxy-3-pyridinyl)phenyl]-3-methylbutan-2-yl]phenyl]pyridazin-3-yl]propan-2-ol
SMILESCOc1cncc(-c2ccc(C(C)(c3ccc(-c4ccc(C(C)(C)O)nn4)cc3)C(C)C)cc2)c1
InChIInChI=1S/C30H33N3O2/c1-20(2)30(5,24-11-7-21(8-12-24)23-17-26(35-6)19-31-18-23)25-13-9-22(10-14-25)27-15-16-28(33-32-27)29(3,4)34/h7-20,34H,1-6H3
InChIKeyGPFYBVWIVPFHKE-UHFFFAOYSA-N
MW467.61 g/mol
LogP6.40
Rot. Bonds7

About 2-[6-[4-[2-[4-(5-methoxy-3-pyridinyl)phenyl]-3-methylbutan-2-yl]phenyl]pyridazin-3-yl]propan-2-ol

2-[6-[4-[2-[4-(5-methoxy-3-pyridinyl)phenyl]-3-methylbutan-2-yl]phenyl]pyridazin-3-yl]propan-2-ol (PubChem CID 25212572) has the molecular formula C30H33N3O2 and a molecular weight of 467.61 g/mol. Its IUPAC name is 2-[6-[4-[2-[4-(5-methoxy-3-pyridinyl)phenyl]-3-methylbutan-2-yl]phenyl]pyridazin-3-yl]propan-2-ol.

Molecular Properties

Compound Name2-[6-[4-[2-[4-(5-methoxy-3-pyridinyl)phenyl]-3-methylbutan-2-yl]phenyl]pyridazin-3-yl]propan-2-ol
PubChem CID25212572
Molecular FormulaC30H33N3O2
Molecular Weight467.61 g/mol
Exact Mass467.26
IUPAC Name2-[6-[4-[2-[4-(5-methoxy-3-pyridinyl)phenyl]-3-methylbutan-2-yl]phenyl]pyridazin-3-yl]propan-2-ol
SMILESCOc1cncc(-c2ccc(C(C)(c3ccc(-c4ccc(C(C)(C)O)nn4)cc3)C(C)C)cc2)c1
InChIInChI=1S/C30H33N3O2/c1-20(2)30(5,24-11-7-21(8-12-24)23-17-26(35-6)19-31-18-23)25-13-9-22(10-14-25)27-15-16-28(33-32-27)29(3,4)34/h7-20,34H,1-6H3
InChIKeyGPFYBVWIVPFHKE-UHFFFAOYSA-N
XLogP6.40
TPSA68.13 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500467.61
LogP ≤ 56.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[6-[4-[2-[4-(5-methoxy-3-pyridinyl)phenyl]-3-methylbutan-2-yl]phenyl]pyridazin-3-yl]propan-2-ol?
The IUPAC name of 2-[6-[4-[2-[4-(5-methoxy-3-pyridinyl)phenyl]-3-methylbutan-2-yl]phenyl]pyridazin-3-yl]propan-2-ol (CID 25212572) is 2-[6-[4-[2-[4-(5-methoxy-3-pyridinyl)phenyl]-3-methylbutan-2-yl]phenyl]pyridazin-3-yl]propan-2-ol.
What is the SMILES notation for 2-[6-[4-[2-[4-(5-methoxy-3-pyridinyl)phenyl]-3-methylbutan-2-yl]phenyl]pyridazin-3-yl]propan-2-ol?
The canonical SMILES for 2-[6-[4-[2-[4-(5-methoxy-3-pyridinyl)phenyl]-3-methylbutan-2-yl]phenyl]pyridazin-3-yl]propan-2-ol is COc1cncc(-c2ccc(C(C)(c3ccc(-c4ccc(C(C)(C)O)nn4)cc3)C(C)C)cc2)c1.
What is the InChIKey of 2-[6-[4-[2-[4-(5-methoxy-3-pyridinyl)phenyl]-3-methylbutan-2-yl]phenyl]pyridazin-3-yl]propan-2-ol?
The InChIKey is GPFYBVWIVPFHKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H33N3O2/c1-20(2)30(5,24-11-7-21(8-12-24)23-17-26(35-6)19-31-18-23)25-13-9-22(10-14-25)27-15-16-28(33-32-27)29(3,4)34/h7-20,34H,1-6H3.
What are the key properties of 2-[6-[4-[2-[4-(5-methoxy-3-pyridinyl)phenyl]-3-methylbutan-2-yl]phenyl]pyridazin-3-yl]propan-2-ol?
2-[6-[4-[2-[4-(5-methoxy-3-pyridinyl)phenyl]-3-methylbutan-2-yl]phenyl]pyridazin-3-yl]propan-2-ol has a molecular weight of 467.61 g/mol, XLogP of 6.40, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-[4-[2-[4-(5-methoxy-3-pyridinyl)phenyl]-3-methylbutan-2-yl]phenyl]pyridazin-3-yl]propan-2-ol is sourced from PubChem (CID 25212572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).