2-[6-[(4-methylpiperazin-1-yl)methyl]-7H-pyrrolo[2,3-c]pyridazin-3-yl]phenol

C18H21N5O — CID 177023015

IUPAC2-[6-[(4-methylpiperazin-1-yl)methyl]-7H-pyrrolo[2,3-c]pyridazin-3-yl]phenol
SMILESCN1CCN(Cc2cc3cc(-c4ccccc4O)nnc3[nH]2)CC1
InChIInChI=1S/C18H21N5O/c1-22-6-8-23(9-7-22)12-14-10-13-11-16(20-21-18(13)19-14)15-4-2-3-5-17(15)24/h2-5,10-11,24H,6-9,12H2,1H3,(H,19,21)
InChIKeyFKKDQBJPPYONON-UHFFFAOYSA-N
MW323.40 g/mol
LogP2.08
Rot. Bonds3

About 2-[6-[(4-methylpiperazin-1-yl)methyl]-7H-pyrrolo[2,3-c]pyridazin-3-yl]phenol

2-[6-[(4-methylpiperazin-1-yl)methyl]-7H-pyrrolo[2,3-c]pyridazin-3-yl]phenol (PubChem CID 177023015) has the molecular formula C18H21N5O and a molecular weight of 323.40 g/mol. Its IUPAC name is 2-[6-[(4-methylpiperazin-1-yl)methyl]-7H-pyrrolo[2,3-c]pyridazin-3-yl]phenol.

Molecular Properties

Compound Name2-[6-[(4-methylpiperazin-1-yl)methyl]-7H-pyrrolo[2,3-c]pyridazin-3-yl]phenol
PubChem CID177023015
Molecular FormulaC18H21N5O
Molecular Weight323.40 g/mol
Exact Mass323.17
IUPAC Name2-[6-[(4-methylpiperazin-1-yl)methyl]-7H-pyrrolo[2,3-c]pyridazin-3-yl]phenol
SMILESCN1CCN(Cc2cc3cc(-c4ccccc4O)nnc3[nH]2)CC1
InChIInChI=1S/C18H21N5O/c1-22-6-8-23(9-7-22)12-14-10-13-11-16(20-21-18(13)19-14)15-4-2-3-5-17(15)24/h2-5,10-11,24H,6-9,12H2,1H3,(H,19,21)
InChIKeyFKKDQBJPPYONON-UHFFFAOYSA-N
XLogP2.08
TPSA68.28 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.40
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-[6-[(4-methylpiperazin-1-yl)methyl]-7H-pyrrolo[2,3-c]pyridazin-3-yl]phenol 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

acetonitrile;2-fluoroprop-2-enal;2-[6-[(4-methylpiperazin-1-yl)methyl]-7H-pyrrolo[2,3-c]pyridazin-3-yl]phenol
CID 177023014
2-[6-[[4-[3-[[5-[(2R)-3-methylbutan-2-yl]-1,2-oxazol-3-yl]oxy]propyl]piperazin-1-yl]methyl]-7H-pyrrolo[2,3-c]pyridazin-3-yl]phenol
CID 174182579
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
2-[6-(1-phenylethyl)-7H-pyrrolo[2,3-c]pyridazin-3-yl]phenol
CID 163374057
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
1-[3-[3-(2-hydroxyphenyl)-7H-pyrrolo[2,3-c]pyridazin-6-yl]azetidin-1-yl]propan-1-one
CID 163374468
2-[6-amino-5-(4-methylpiperazin-1-yl)pyridazin-3-yl]phenol
CID 147428670
1-[3-[[3-(2-hydroxyphenyl)-7H-pyrrolo[2,3-c]pyridazin-6-yl]sulfonyl]azetidin-1-yl]ethanone
CID 167081119
1-[(3R)-3-[3-(2-hydroxyphenyl)-7H-pyrrolo[2,3-c]pyridazin-6-yl]-3-methylpyrrolidin-1-yl]prop-2-en-1-one
CID 177023898
1-[4-[3-(2-hydroxyphenyl)-7H-pyrrolo[2,3-c]pyridazin-6-yl]piperidin-1-yl]prop-2-en-1-one
CID 177023083
1-[6-[3-(2-hydroxyphenyl)-7H-pyrrolo[2,3-c]pyridazin-6-yl]-2,3-dihydroindol-1-yl]prop-2-en-1-one
CID 177023550

Frequently Asked Questions

What is the IUPAC name of 2-[6-[(4-methylpiperazin-1-yl)methyl]-7H-pyrrolo[2,3-c]pyridazin-3-yl]phenol?
The IUPAC name of 2-[6-[(4-methylpiperazin-1-yl)methyl]-7H-pyrrolo[2,3-c]pyridazin-3-yl]phenol (CID 177023015) is 2-[6-[(4-methylpiperazin-1-yl)methyl]-7H-pyrrolo[2,3-c]pyridazin-3-yl]phenol.
What is the SMILES notation for 2-[6-[(4-methylpiperazin-1-yl)methyl]-7H-pyrrolo[2,3-c]pyridazin-3-yl]phenol?
The canonical SMILES for 2-[6-[(4-methylpiperazin-1-yl)methyl]-7H-pyrrolo[2,3-c]pyridazin-3-yl]phenol is CN1CCN(Cc2cc3cc(-c4ccccc4O)nnc3[nH]2)CC1.
What is the InChIKey of 2-[6-[(4-methylpiperazin-1-yl)methyl]-7H-pyrrolo[2,3-c]pyridazin-3-yl]phenol?
The InChIKey is FKKDQBJPPYONON-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N5O/c1-22-6-8-23(9-7-22)12-14-10-13-11-16(20-21-18(13)19-14)15-4-2-3-5-17(15)24/h2-5,10-11,24H,6-9,12H2,1H3,(H,19,21).
What are the key properties of 2-[6-[(4-methylpiperazin-1-yl)methyl]-7H-pyrrolo[2,3-c]pyridazin-3-yl]phenol?
2-[6-[(4-methylpiperazin-1-yl)methyl]-7H-pyrrolo[2,3-c]pyridazin-3-yl]phenol has a molecular weight of 323.40 g/mol, XLogP of 2.08, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-[(4-methylpiperazin-1-yl)methyl]-7H-pyrrolo[2,3-c]pyridazin-3-yl]phenol is sourced from PubChem (CID 177023015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).