2-[6-(1-phenylethyl)-7H-pyrrolo[2,3-c]pyridazin-3-yl]phenol

C20H17N3O — CID 163374057

IUPAC2-[6-(1-phenylethyl)-7H-pyrrolo[2,3-c]pyridazin-3-yl]phenol
SMILESCC(c1ccccc1)c1cc2cc(-c3ccccc3O)nnc2[nH]1
InChIInChI=1S/C20H17N3O/c1-13(14-7-3-2-4-8-14)17-11-15-12-18(22-23-20(15)21-17)16-9-5-6-10-19(16)24/h2-13,24H,1H3,(H,21,23)
InChIKeyWHVOXSOTXMTDJM-UHFFFAOYSA-N
MW315.38 g/mol
LogP4.48
Rot. Bonds3

About 2-[6-(1-phenylethyl)-7H-pyrrolo[2,3-c]pyridazin-3-yl]phenol

2-[6-(1-phenylethyl)-7H-pyrrolo[2,3-c]pyridazin-3-yl]phenol (PubChem CID 163374057) has the molecular formula C20H17N3O and a molecular weight of 315.38 g/mol. Its IUPAC name is 2-[6-(1-phenylethyl)-7H-pyrrolo[2,3-c]pyridazin-3-yl]phenol.

Molecular Properties

Compound Name2-[6-(1-phenylethyl)-7H-pyrrolo[2,3-c]pyridazin-3-yl]phenol
PubChem CID163374057
Molecular FormulaC20H17N3O
Molecular Weight315.38 g/mol
Exact Mass315.14
IUPAC Name2-[6-(1-phenylethyl)-7H-pyrrolo[2,3-c]pyridazin-3-yl]phenol
SMILESCC(c1ccccc1)c1cc2cc(-c3ccccc3O)nnc2[nH]1
InChIInChI=1S/C20H17N3O/c1-13(14-7-3-2-4-8-14)17-11-15-12-18(22-23-20(15)21-17)16-9-5-6-10-19(16)24/h2-13,24H,1H3,(H,21,23)
InChIKeyWHVOXSOTXMTDJM-UHFFFAOYSA-N
XLogP4.48
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.38
LogP ≤ 54.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[6-[(4-methylpiperazin-1-yl)methyl]-7H-pyrrolo[2,3-c]pyridazin-3-yl]phenol
CID 177023015
2-[6-(azetidin-3-ylmethyl)-7H-pyrrolo[2,3-c]pyridazin-3-yl]phenol
CID 163374090
2-[6-[[4-[5-(2-methylpropyl)-1,2-oxazol-3-yl]piperidin-1-yl]methyl]-7H-pyrrolo[2,3-c]pyridazin-3-yl]phenol
CID 174182084
1-[3-[3-(2-hydroxyphenyl)-7H-pyrrolo[2,3-c]pyridazin-6-yl]azetidin-1-yl]propan-1-one
CID 163374468
1-[3-[[3-(2-hydroxyphenyl)-7H-pyrrolo[2,3-c]pyridazin-6-yl]sulfonyl]azetidin-1-yl]ethanone
CID 167081119
2-[6-amino-5-[(1S)-1-phenylethoxy]pyridazin-3-yl]phenol
CID 137029385
1-[4-[3-(2-hydroxyphenyl)-7H-pyrrolo[2,3-c]pyridazin-6-yl]piperidin-1-yl]prop-2-en-1-one
CID 177023083
N-[1-[3-(2-hydroxyphenyl)-7H-pyrrolo[2,3-c]pyridazin-6-yl]cyclopropyl]-N-methylprop-2-enamide
CID 177023077
1-[5-[3-(2-hydroxyphenyl)-7H-pyrrolo[2,3-c]pyridazin-6-yl]-2-azaspiro[3.4]octan-2-yl]prop-2-en-1-one
CID 177023941
2-[6-[4-[2-[[5-(2-methylpropyl)-1,2-oxazol-3-yl]oxy]ethyl]piperazin-1-yl]-7H-pyrrolo[2,3-c]pyridazin-3-yl]phenol
CID 174182651
2-(6-amino-5-propan-2-ylpyridazin-3-yl)phenol
CID 137029503
1-[3-[3-(2-hydroxyphenyl)-7H-pyrrolo[2,3-c]pyridazin-6-yl]piperidin-1-yl]prop-2-en-1-one
CID 177023632

Frequently Asked Questions

What is the IUPAC name of 2-[6-(1-phenylethyl)-7H-pyrrolo[2,3-c]pyridazin-3-yl]phenol?
The IUPAC name of 2-[6-(1-phenylethyl)-7H-pyrrolo[2,3-c]pyridazin-3-yl]phenol (CID 163374057) is 2-[6-(1-phenylethyl)-7H-pyrrolo[2,3-c]pyridazin-3-yl]phenol.
What is the SMILES notation for 2-[6-(1-phenylethyl)-7H-pyrrolo[2,3-c]pyridazin-3-yl]phenol?
The canonical SMILES for 2-[6-(1-phenylethyl)-7H-pyrrolo[2,3-c]pyridazin-3-yl]phenol is CC(c1ccccc1)c1cc2cc(-c3ccccc3O)nnc2[nH]1.
What is the InChIKey of 2-[6-(1-phenylethyl)-7H-pyrrolo[2,3-c]pyridazin-3-yl]phenol?
The InChIKey is WHVOXSOTXMTDJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N3O/c1-13(14-7-3-2-4-8-14)17-11-15-12-18(22-23-20(15)21-17)16-9-5-6-10-19(16)24/h2-13,24H,1H3,(H,21,23).
What are the key properties of 2-[6-(1-phenylethyl)-7H-pyrrolo[2,3-c]pyridazin-3-yl]phenol?
2-[6-(1-phenylethyl)-7H-pyrrolo[2,3-c]pyridazin-3-yl]phenol has a molecular weight of 315.38 g/mol, XLogP of 4.48, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(1-phenylethyl)-7H-pyrrolo[2,3-c]pyridazin-3-yl]phenol is sourced from PubChem (CID 163374057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).