3-[[4-[(4-chloro-2-fluorophenyl)methoxy]-2-fluoro-5-methoxyphenyl]methyl]-5-methoxy-1H-pyrrolo[2,3-b]pyridine

C23H19ClF2N2O3 — CID 58087230

IUPAC3-[[4-[(4-chloro-2-fluorophenyl)methoxy]-2-fluoro-5-methoxyphenyl]methyl]-5-methoxy-1H-pyrrolo[2,3-b]pyridine
SMILESCOc1cnc2[nH]cc(Cc3cc(OC)c(OCc4ccc(Cl)cc4F)cc3F)c2c1
InChIInChI=1S/C23H19ClF2N2O3/c1-29-17-8-18-15(10-27-23(18)28-11-17)5-14-6-21(30-2)22(9-20(14)26)31-12-13-3-4-16(24)7-19(13)25/h3-4,6-11H,5,12H2,1-2H3,(H,27,28)
InChIKeyBIIHXEYYEZSDOO-UHFFFAOYSA-N
MW444.87 g/mol
LogP5.68
Rot. Bonds7

About 3-[[4-[(4-chloro-2-fluorophenyl)methoxy]-2-fluoro-5-methoxyphenyl]methyl]-5-methoxy-1H-pyrrolo[2,3-b]pyridine

3-[[4-[(4-chloro-2-fluorophenyl)methoxy]-2-fluoro-5-methoxyphenyl]methyl]-5-methoxy-1H-pyrrolo[2,3-b]pyridine (PubChem CID 58087230) has the molecular formula C23H19ClF2N2O3 and a molecular weight of 444.87 g/mol. Its IUPAC name is 3-[[4-[(4-chloro-2-fluorophenyl)methoxy]-2-fluoro-5-methoxyphenyl]methyl]-5-methoxy-1H-pyrrolo[2,3-b]pyridine.

Molecular Properties

Compound Name3-[[4-[(4-chloro-2-fluorophenyl)methoxy]-2-fluoro-5-methoxyphenyl]methyl]-5-methoxy-1H-pyrrolo[2,3-b]pyridine
PubChem CID58087230
Molecular FormulaC23H19ClF2N2O3
Molecular Weight444.87 g/mol
Exact Mass444.11
IUPAC Name3-[[4-[(4-chloro-2-fluorophenyl)methoxy]-2-fluoro-5-methoxyphenyl]methyl]-5-methoxy-1H-pyrrolo[2,3-b]pyridine
SMILESCOc1cnc2[nH]cc(Cc3cc(OC)c(OCc4ccc(Cl)cc4F)cc3F)c2c1
InChIInChI=1S/C23H19ClF2N2O3/c1-29-17-8-18-15(10-27-23(18)28-11-17)5-14-6-21(30-2)22(9-20(14)26)31-12-13-3-4-16(24)7-19(13)25/h3-4,6-11H,5,12H2,1-2H3,(H,27,28)
InChIKeyBIIHXEYYEZSDOO-UHFFFAOYSA-N
XLogP5.68
TPSA56.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500444.87
LogP ≤ 55.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-[[4-[(4-chloro-2-fluorophenyl)methoxy]-2-fluoro-5-methoxyphenyl]methyl]-5-methoxy-1H-pyrrolo[2,3-b]pyridine 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

3-[[4-(1H-benzimidazol-2-ylmethoxy)-2-fluoro-5-methoxyphenyl]methyl]-5-chloro-1H-pyrrolo[2,3-b]pyridine
CID 58087218
5-chloro-3-[[2-fluoro-5-methoxy-4-[(1-methyl-4,5-dihydrobenzimidazol-2-yl)methoxy]phenyl]methyl]-1H-pyrrolo[2,3-b]pyridine;ethane
CID 143713075
3-[[2-chloro-6-[2-(5-fluoro-2-methoxy-3-pyridinyl)ethyl]-3-pyridinyl]methyl]-5-methoxy-1H-pyrrolo[2,3-b]pyridine
CID 58259117
6-chloro-N-[(5-fluoro-2-methoxy-3-pyridinyl)methyl]-5-[(5-methoxy-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]pyridin-2-amine
CID 87307479
3-[[3-[(4-chloro-2-fluorophenyl)methoxy]-2-ethoxycyclohexa-1,3-dien-1-yl]-methoxymethyl]-5-methoxy-1H-pyrrolo[2,3-b]pyridine
CID 143712648
4-[(4-chloro-2-fluorophenyl)methoxy]-2-fluoro-5-methoxybenzaldehyde
CID 58086251
3-[[4-[[4-[(Z)-but-1-en-3-ynyl]-5-methyl-1H-imidazol-2-yl]methoxy]-2-fluoro-5-methoxyphenyl]methyl]-1H-pyrrolo[2,3-b]pyridine-5-carbonitrile
CID 143712883
1,4-dichloro-2-[(2-fluoro-4-methoxyphenyl)methoxy]benzene
CID 102879421
[3-[(4-chloro-2-fluorophenyl)methoxy]-4-methoxyphenyl]methanamine
CID 114847771
N-[(2Z,4E)-1,1,1-trifluoro-6-[5-fluoro-2-methoxy-4-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)phenoxy]-5-methylhexa-2,4-dien-2-yl]methanimine
CID 163442311
3-[[4-(1H-benzimidazol-2-ylmethoxy)-2,5-difluorophenyl]methyl]-5-isocyano-1H-pyrrolo[2,3-b]pyridine
CID 59803857
5-chloro-3-[(2-fluoro-5-methoxy-4-phenylmethoxyphenyl)-methoxymethyl]-1H-pyrrolo[2,3-b]pyridine
CID 66889479

Frequently Asked Questions

What is the IUPAC name of 3-[[4-[(4-chloro-2-fluorophenyl)methoxy]-2-fluoro-5-methoxyphenyl]methyl]-5-methoxy-1H-pyrrolo[2,3-b]pyridine?
The IUPAC name of 3-[[4-[(4-chloro-2-fluorophenyl)methoxy]-2-fluoro-5-methoxyphenyl]methyl]-5-methoxy-1H-pyrrolo[2,3-b]pyridine (CID 58087230) is 3-[[4-[(4-chloro-2-fluorophenyl)methoxy]-2-fluoro-5-methoxyphenyl]methyl]-5-methoxy-1H-pyrrolo[2,3-b]pyridine.
What is the SMILES notation for 3-[[4-[(4-chloro-2-fluorophenyl)methoxy]-2-fluoro-5-methoxyphenyl]methyl]-5-methoxy-1H-pyrrolo[2,3-b]pyridine?
The canonical SMILES for 3-[[4-[(4-chloro-2-fluorophenyl)methoxy]-2-fluoro-5-methoxyphenyl]methyl]-5-methoxy-1H-pyrrolo[2,3-b]pyridine is COc1cnc2[nH]cc(Cc3cc(OC)c(OCc4ccc(Cl)cc4F)cc3F)c2c1.
What is the InChIKey of 3-[[4-[(4-chloro-2-fluorophenyl)methoxy]-2-fluoro-5-methoxyphenyl]methyl]-5-methoxy-1H-pyrrolo[2,3-b]pyridine?
The InChIKey is BIIHXEYYEZSDOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19ClF2N2O3/c1-29-17-8-18-15(10-27-23(18)28-11-17)5-14-6-21(30-2)22(9-20(14)26)31-12-13-3-4-16(24)7-19(13)25/h3-4,6-11H,5,12H2,1-2H3,(H,27,28).
What are the key properties of 3-[[4-[(4-chloro-2-fluorophenyl)methoxy]-2-fluoro-5-methoxyphenyl]methyl]-5-methoxy-1H-pyrrolo[2,3-b]pyridine?
3-[[4-[(4-chloro-2-fluorophenyl)methoxy]-2-fluoro-5-methoxyphenyl]methyl]-5-methoxy-1H-pyrrolo[2,3-b]pyridine has a molecular weight of 444.87 g/mol, XLogP of 5.68, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-[(4-chloro-2-fluorophenyl)methoxy]-2-fluoro-5-methoxyphenyl]methyl]-5-methoxy-1H-pyrrolo[2,3-b]pyridine is sourced from PubChem (CID 58087230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).