[3-(4-methylimidazol-1-yl)-6-[6-[(4-methylphenyl)methylamino]pyridazin-3-yl]-2-pyridinyl]methanol

C22H22N6O — CID 134391164

IUPAC[3-(4-methylimidazol-1-yl)-6-[6-[(4-methylphenyl)methylamino]pyridazin-3-yl]-2-pyridinyl]methanol
SMILESCc1ccc(CNc2ccc(-c3ccc(-n4cnc(C)c4)c(CO)n3)nn2)cc1
InChIInChI=1S/C22H22N6O/c1-15-3-5-17(6-4-15)11-23-22-10-8-19(26-27-22)18-7-9-21(20(13-29)25-18)28-12-16(2)24-14-28/h3-10,12,14,29H,11,13H2,1-2H3,(H,23,27)
InChIKeyLEZMVQZTZSUUTQ-UHFFFAOYSA-N
MW386.46 g/mol
LogP3.45
Rot. Bonds6

About [3-(4-methylimidazol-1-yl)-6-[6-[(4-methylphenyl)methylamino]pyridazin-3-yl]-2-pyridinyl]methanol

[3-(4-methylimidazol-1-yl)-6-[6-[(4-methylphenyl)methylamino]pyridazin-3-yl]-2-pyridinyl]methanol (PubChem CID 134391164) has the molecular formula C22H22N6O and a molecular weight of 386.46 g/mol. Its IUPAC name is [3-(4-methylimidazol-1-yl)-6-[6-[(4-methylphenyl)methylamino]pyridazin-3-yl]-2-pyridinyl]methanol.

Molecular Properties

Compound Name[3-(4-methylimidazol-1-yl)-6-[6-[(4-methylphenyl)methylamino]pyridazin-3-yl]-2-pyridinyl]methanol
PubChem CID134391164
Molecular FormulaC22H22N6O
Molecular Weight386.46 g/mol
Exact Mass386.19
IUPAC Name[3-(4-methylimidazol-1-yl)-6-[6-[(4-methylphenyl)methylamino]pyridazin-3-yl]-2-pyridinyl]methanol
SMILESCc1ccc(CNc2ccc(-c3ccc(-n4cnc(C)c4)c(CO)n3)nn2)cc1
InChIInChI=1S/C22H22N6O/c1-15-3-5-17(6-4-15)11-23-22-10-8-19(26-27-22)18-7-9-21(20(13-29)25-18)28-12-16(2)24-14-28/h3-10,12,14,29H,11,13H2,1-2H3,(H,23,27)
InChIKeyLEZMVQZTZSUUTQ-UHFFFAOYSA-N
XLogP3.45
TPSA88.75 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.46
LogP ≤ 53.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [3-(4-methylimidazol-1-yl)-6-[6-[(4-methylphenyl)methylamino]pyridazin-3-yl]-2-pyridinyl]methanol?
The IUPAC name of [3-(4-methylimidazol-1-yl)-6-[6-[(4-methylphenyl)methylamino]pyridazin-3-yl]-2-pyridinyl]methanol (CID 134391164) is [3-(4-methylimidazol-1-yl)-6-[6-[(4-methylphenyl)methylamino]pyridazin-3-yl]-2-pyridinyl]methanol.
What is the SMILES notation for [3-(4-methylimidazol-1-yl)-6-[6-[(4-methylphenyl)methylamino]pyridazin-3-yl]-2-pyridinyl]methanol?
The canonical SMILES for [3-(4-methylimidazol-1-yl)-6-[6-[(4-methylphenyl)methylamino]pyridazin-3-yl]-2-pyridinyl]methanol is Cc1ccc(CNc2ccc(-c3ccc(-n4cnc(C)c4)c(CO)n3)nn2)cc1.
What is the InChIKey of [3-(4-methylimidazol-1-yl)-6-[6-[(4-methylphenyl)methylamino]pyridazin-3-yl]-2-pyridinyl]methanol?
The InChIKey is LEZMVQZTZSUUTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N6O/c1-15-3-5-17(6-4-15)11-23-22-10-8-19(26-27-22)18-7-9-21(20(13-29)25-18)28-12-16(2)24-14-28/h3-10,12,14,29H,11,13H2,1-2H3,(H,23,27).
What are the key properties of [3-(4-methylimidazol-1-yl)-6-[6-[(4-methylphenyl)methylamino]pyridazin-3-yl]-2-pyridinyl]methanol?
[3-(4-methylimidazol-1-yl)-6-[6-[(4-methylphenyl)methylamino]pyridazin-3-yl]-2-pyridinyl]methanol has a molecular weight of 386.46 g/mol, XLogP of 3.45, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(4-methylimidazol-1-yl)-6-[6-[(4-methylphenyl)methylamino]pyridazin-3-yl]-2-pyridinyl]methanol is sourced from PubChem (CID 134391164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).