1-[6-(6-amino-2-pyridinyl)pyridazin-3-yl]-7-phenylheptan-1-ol

C22H26N4O — CID 70929168

IUPAC1-[6-(6-amino-2-pyridinyl)pyridazin-3-yl]-7-phenylheptan-1-ol
SMILESNc1cccc(-c2ccc(C(O)CCCCCCc3ccccc3)nn2)n1
InChIInChI=1S/C22H26N4O/c23-22-14-8-12-18(24-22)19-15-16-20(26-25-19)21(27)13-7-2-1-4-9-17-10-5-3-6-11-17/h3,5-6,8,10-12,14-16,21,27H,1-2,4,7,9,13H2,(H2,23,24)
InChIKeyCPUTVHAHSHXTCF-UHFFFAOYSA-N
MW362.48 g/mol
LogP4.35
Rot. Bonds9

About 1-[6-(6-amino-2-pyridinyl)pyridazin-3-yl]-7-phenylheptan-1-ol

1-[6-(6-amino-2-pyridinyl)pyridazin-3-yl]-7-phenylheptan-1-ol (PubChem CID 70929168) has the molecular formula C22H26N4O and a molecular weight of 362.48 g/mol. Its IUPAC name is 1-[6-(6-amino-2-pyridinyl)pyridazin-3-yl]-7-phenylheptan-1-ol.

Molecular Properties

Compound Name1-[6-(6-amino-2-pyridinyl)pyridazin-3-yl]-7-phenylheptan-1-ol
PubChem CID70929168
Molecular FormulaC22H26N4O
Molecular Weight362.48 g/mol
Exact Mass362.21
IUPAC Name1-[6-(6-amino-2-pyridinyl)pyridazin-3-yl]-7-phenylheptan-1-ol
SMILESNc1cccc(-c2ccc(C(O)CCCCCCc3ccccc3)nn2)n1
InChIInChI=1S/C22H26N4O/c23-22-14-8-12-18(24-22)19-15-16-20(26-25-19)21(27)13-7-2-1-4-9-17-10-5-3-6-11-17/h3,5-6,8,10-12,14-16,21,27H,1-2,4,7,9,13H2,(H2,23,24)
InChIKeyCPUTVHAHSHXTCF-UHFFFAOYSA-N
XLogP4.35
TPSA84.92 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.48
LogP ≤ 54.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 1-[6-(6-amino-2-pyridinyl)pyridazin-3-yl]-7-phenylheptan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(1R)-7-phenyl-1-(2H-tetrazol-5-yl)heptan-1-ol
CID 124566909
15-phenylpentadecane-1,1-diol
CID 139927269
2-hydroxy-8-phenyloctanamide
CID 66822616
6-(6-pyridin-2-ylpyridazin-3-yl)pyridin-2-amine
CID 143616941
6-[4-[3-[4-(2-phenylethyl)piperazin-1-yl]propyl]phenyl]pyridin-2-amine
CID 18414443
2-(3-aminopropyl)-6-phenylhexanoic acid
CID 114335136
(2R,3R,4R,5S)-24-phenyltetracosane-1,2,3,4,5,6-hexol
CID 142718229
1-(4-chloro-1,3-oxazol-2-yl)-7-phenylheptan-1-ol
CID 58369498
2-(8-phenyloctyl)propanedioic acid
CID 20544236
methyl 6-[6-(7-phenylheptanoyl)pyridazin-3-yl]pyridine-2-carboxylate
CID 24950528
2-amino-7-phenylheptanoic acid
CID 85132413
6-[4-(2-aminoethyl)phenyl]pyridin-2-amine
CID 11310407

Frequently Asked Questions

What is the IUPAC name of 1-[6-(6-amino-2-pyridinyl)pyridazin-3-yl]-7-phenylheptan-1-ol?
The IUPAC name of 1-[6-(6-amino-2-pyridinyl)pyridazin-3-yl]-7-phenylheptan-1-ol (CID 70929168) is 1-[6-(6-amino-2-pyridinyl)pyridazin-3-yl]-7-phenylheptan-1-ol.
What is the SMILES notation for 1-[6-(6-amino-2-pyridinyl)pyridazin-3-yl]-7-phenylheptan-1-ol?
The canonical SMILES for 1-[6-(6-amino-2-pyridinyl)pyridazin-3-yl]-7-phenylheptan-1-ol is Nc1cccc(-c2ccc(C(O)CCCCCCc3ccccc3)nn2)n1.
What is the InChIKey of 1-[6-(6-amino-2-pyridinyl)pyridazin-3-yl]-7-phenylheptan-1-ol?
The InChIKey is CPUTVHAHSHXTCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O/c23-22-14-8-12-18(24-22)19-15-16-20(26-25-19)21(27)13-7-2-1-4-9-17-10-5-3-6-11-17/h3,5-6,8,10-12,14-16,21,27H,1-2,4,7,9,13H2,(H2,23,24).
What are the key properties of 1-[6-(6-amino-2-pyridinyl)pyridazin-3-yl]-7-phenylheptan-1-ol?
1-[6-(6-amino-2-pyridinyl)pyridazin-3-yl]-7-phenylheptan-1-ol has a molecular weight of 362.48 g/mol, XLogP of 4.35, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-(6-amino-2-pyridinyl)pyridazin-3-yl]-7-phenylheptan-1-ol is sourced from PubChem (CID 70929168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).