4-benzyl-7-[(4-fluorophenyl)methoxy]-2-methyl-1H-pyrrolo[2,3-d]pyridazine

C21H18FN3O — CID 67835832

IUPAC4-benzyl-7-[(4-fluorophenyl)methoxy]-2-methyl-1H-pyrrolo[2,3-d]pyridazine
SMILESCc1cc2c(Cc3ccccc3)nnc(OCc3ccc(F)cc3)c2[nH]1
InChIInChI=1S/C21H18FN3O/c1-14-11-18-19(12-15-5-3-2-4-6-15)24-25-21(20(18)23-14)26-13-16-7-9-17(22)10-8-16/h2-11,23H,12-13H2,1H3
InChIKeyMWEQAMVOOHAXKD-UHFFFAOYSA-N
MW347.39 g/mol
LogP4.58
Rot. Bonds5

About 4-benzyl-7-[(4-fluorophenyl)methoxy]-2-methyl-1H-pyrrolo[2,3-d]pyridazine

4-benzyl-7-[(4-fluorophenyl)methoxy]-2-methyl-1H-pyrrolo[2,3-d]pyridazine (PubChem CID 67835832) has the molecular formula C21H18FN3O and a molecular weight of 347.39 g/mol. Its IUPAC name is 4-benzyl-7-[(4-fluorophenyl)methoxy]-2-methyl-1H-pyrrolo[2,3-d]pyridazine.

Molecular Properties

Compound Name4-benzyl-7-[(4-fluorophenyl)methoxy]-2-methyl-1H-pyrrolo[2,3-d]pyridazine
PubChem CID67835832
Molecular FormulaC21H18FN3O
Molecular Weight347.39 g/mol
Exact Mass347.14
IUPAC Name4-benzyl-7-[(4-fluorophenyl)methoxy]-2-methyl-1H-pyrrolo[2,3-d]pyridazine
SMILESCc1cc2c(Cc3ccccc3)nnc(OCc3ccc(F)cc3)c2[nH]1
InChIInChI=1S/C21H18FN3O/c1-14-11-18-19(12-15-5-3-2-4-6-15)24-25-21(20(18)23-14)26-13-16-7-9-17(22)10-8-16/h2-11,23H,12-13H2,1H3
InChIKeyMWEQAMVOOHAXKD-UHFFFAOYSA-N
XLogP4.58
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.39
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-benzyl-7-[(4-fluorophenyl)methoxy]-2-methyl-1H-pyrrolo[2,3-d]pyridazine 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

CS-526
CID 9833312
3-[(2S)-2-amino-3-phenylpropoxy]-5-{3-methyl-1H-pyrazolo[3,4-c]pyridin-5-yl}pyridine
CID 23647437
3-[(2S)-2-amino-3-(2,3-difluorophenyl)propoxy]-5-{3-methyl-1H-pyrazolo[3,4-c]pyridin-5-yl}pyridine
CID 16731841
US10221173, Example 112
CID 135277051
1-phenylmethoxy-9H-pyrido[3,4-b]indole
CID 44581819
(S)-1-(2,6-difluorophenyl)-3-(5-(3-methyl-1H-pyrazolo[3,4-c]pyridin-5-yl)pyridin-3-yloxy)propan-2-amine
CID 45481735
(S)-1-(3-fluorophenyl)-3-(5-(3-methyl-1H-pyrazolo[3,4-c]pyridin-5-yl)pyridin-3-yloxy)propan-2-amine
CID 45481736
(S)-1-(5-(3-methyl-1H-pyrazolo[3,4-c]pyridin-5-yl)pyridin-3-yloxy)-3-(2,3,4-trifluorophenyl)propan-2-amine
CID 45481740
(S)-1-(5-fluoro-2-methylphenyl)-3-(5-(3-methyl-1H-pyrazolo[3,4-c]pyridin-5-yl)pyridin-3-yloxy)propan-2-amine
CID 45481742
(S)-1-(4-fluoro-3-methylphenyl)-3-(5-(3-methyl-1H-pyrazolo[3,4-c]pyridin-5-yl)pyridin-3-yloxy)propan-2-amine
CID 45481743
(S)-1-(4-fluoro-2-methylphenyl)-3-(5-(3-methyl-1H-pyrazolo[3,4-c]pyridin-5-yl)pyridin-3-yloxy)propan-2-amine
CID 45481744
2-fluoro-5-methyl-11-phenoxy-10H-indolo[3,2-b]quinolin-5-ium chloride
CID 10643408

Frequently Asked Questions

What is the IUPAC name of 4-benzyl-7-[(4-fluorophenyl)methoxy]-2-methyl-1H-pyrrolo[2,3-d]pyridazine?
The IUPAC name of 4-benzyl-7-[(4-fluorophenyl)methoxy]-2-methyl-1H-pyrrolo[2,3-d]pyridazine (CID 67835832) is 4-benzyl-7-[(4-fluorophenyl)methoxy]-2-methyl-1H-pyrrolo[2,3-d]pyridazine.
What is the SMILES notation for 4-benzyl-7-[(4-fluorophenyl)methoxy]-2-methyl-1H-pyrrolo[2,3-d]pyridazine?
The canonical SMILES for 4-benzyl-7-[(4-fluorophenyl)methoxy]-2-methyl-1H-pyrrolo[2,3-d]pyridazine is Cc1cc2c(Cc3ccccc3)nnc(OCc3ccc(F)cc3)c2[nH]1.
What is the InChIKey of 4-benzyl-7-[(4-fluorophenyl)methoxy]-2-methyl-1H-pyrrolo[2,3-d]pyridazine?
The InChIKey is MWEQAMVOOHAXKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18FN3O/c1-14-11-18-19(12-15-5-3-2-4-6-15)24-25-21(20(18)23-14)26-13-16-7-9-17(22)10-8-16/h2-11,23H,12-13H2,1H3.
What are the key properties of 4-benzyl-7-[(4-fluorophenyl)methoxy]-2-methyl-1H-pyrrolo[2,3-d]pyridazine?
4-benzyl-7-[(4-fluorophenyl)methoxy]-2-methyl-1H-pyrrolo[2,3-d]pyridazine has a molecular weight of 347.39 g/mol, XLogP of 4.58, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzyl-7-[(4-fluorophenyl)methoxy]-2-methyl-1H-pyrrolo[2,3-d]pyridazine is sourced from PubChem (CID 67835832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).