methyl 1-[(4-fluorophenyl)methyl]-4-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]pyrrolo[3,2-c]pyridine-2-carboxylate

C27H23FN4O3 — CID 58110637

IUPACmethyl 1-[(4-fluorophenyl)methyl]-4-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]pyrrolo[3,2-c]pyridine-2-carboxylate
SMILESCOC(=O)c1cc2c(-c3ccc(-n4cnc(C)c4)c(OC)c3)nccc2n1Cc1ccc(F)cc1
InChIInChI=1S/C27H23FN4O3/c1-17-14-31(16-30-17)23-9-6-19(12-25(23)34-2)26-21-13-24(27(33)35-3)32(22(21)10-11-29-26)15-18-4-7-20(28)8-5-18/h4-14,16H,15H2,1-3H3
InChIKeyNTODKEZEOZVDGR-UHFFFAOYSA-N
MW470.50 g/mol
LogP5.18
Rot. Bonds6

About methyl 1-[(4-fluorophenyl)methyl]-4-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]pyrrolo[3,2-c]pyridine-2-carboxylate

methyl 1-[(4-fluorophenyl)methyl]-4-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]pyrrolo[3,2-c]pyridine-2-carboxylate (PubChem CID 58110637) has the molecular formula C27H23FN4O3 and a molecular weight of 470.50 g/mol. Its IUPAC name is methyl 1-[(4-fluorophenyl)methyl]-4-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]pyrrolo[3,2-c]pyridine-2-carboxylate.

Molecular Properties

Compound Namemethyl 1-[(4-fluorophenyl)methyl]-4-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]pyrrolo[3,2-c]pyridine-2-carboxylate
PubChem CID58110637
Molecular FormulaC27H23FN4O3
Molecular Weight470.50 g/mol
Exact Mass470.18
IUPAC Namemethyl 1-[(4-fluorophenyl)methyl]-4-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]pyrrolo[3,2-c]pyridine-2-carboxylate
SMILESCOC(=O)c1cc2c(-c3ccc(-n4cnc(C)c4)c(OC)c3)nccc2n1Cc1ccc(F)cc1
InChIInChI=1S/C27H23FN4O3/c1-17-14-31(16-30-17)23-9-6-19(12-25(23)34-2)26-21-13-24(27(33)35-3)32(22(21)10-11-29-26)15-18-4-7-20(28)8-5-18/h4-14,16H,15H2,1-3H3
InChIKeyNTODKEZEOZVDGR-UHFFFAOYSA-N
XLogP5.18
TPSA71.17 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500470.50
LogP ≤ 55.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze methyl 1-[(4-fluorophenyl)methyl]-4-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]pyrrolo[3,2-c]pyridine-2-carboxylate 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

methyl 1-[(4-fluorophenyl)methyl]-5-[3-methoxy-4-(4-methylimidazol-1-yl)anilino]-6-oxopyridine-3-carboxylate
CID 70271568
methyl 3-[3-methoxy-4-(4-methylimidazol-1-yl)anilino]-1-[(3,4,5-trifluorophenyl)methyl]pyrazole-5-carboxylate
CID 46216604
3-methoxy-4-(4-methylimidazol-1-yl)benzohydrazide;dihydrochloride
CID 66607849
1-[1-(4-fluorophenyl)-2-methylpropan-2-yl]-3-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]urea
CID 24855699
[2-(4-fluorophenyl)phenyl]-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methanone
CID 166069593
1-benzyl-4-[3-methoxy-4-(4-methylimidazol-1-yl)anilino]-3H-imidazo[4,5-c]pyridin-2-one
CID 178075746
3-[(E)-2-(4-fluorophenyl)ethenyl]-5-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-1-methyl-1,2,4-triazole
CID 67607404
3-(4-fluorophenyl)-N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]benzamide
CID 67807911
N-(2-chloroethyl)-4-(4-fluorophenyl)-2-[(E)-2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]ethenyl]-1H-imidazole-5-carboxamide
CID 24852338
[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methanamine
CID 68592145
4-bromo-2-[(4-fluorophenyl)methyl]-5-[3-methoxy-4-(4-methylimidazol-1-yl)anilino]pyridazin-3-one
CID 70269858
1-(4-fluorophenyl)-3-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-5-propan-2-yl-1,2,4-triazole
CID 67606398

Frequently Asked Questions

What is the IUPAC name of methyl 1-[(4-fluorophenyl)methyl]-4-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]pyrrolo[3,2-c]pyridine-2-carboxylate?
The IUPAC name of methyl 1-[(4-fluorophenyl)methyl]-4-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]pyrrolo[3,2-c]pyridine-2-carboxylate (CID 58110637) is methyl 1-[(4-fluorophenyl)methyl]-4-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]pyrrolo[3,2-c]pyridine-2-carboxylate.
What is the SMILES notation for methyl 1-[(4-fluorophenyl)methyl]-4-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]pyrrolo[3,2-c]pyridine-2-carboxylate?
The canonical SMILES for methyl 1-[(4-fluorophenyl)methyl]-4-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]pyrrolo[3,2-c]pyridine-2-carboxylate is COC(=O)c1cc2c(-c3ccc(-n4cnc(C)c4)c(OC)c3)nccc2n1Cc1ccc(F)cc1.
What is the InChIKey of methyl 1-[(4-fluorophenyl)methyl]-4-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]pyrrolo[3,2-c]pyridine-2-carboxylate?
The InChIKey is NTODKEZEOZVDGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H23FN4O3/c1-17-14-31(16-30-17)23-9-6-19(12-25(23)34-2)26-21-13-24(27(33)35-3)32(22(21)10-11-29-26)15-18-4-7-20(28)8-5-18/h4-14,16H,15H2,1-3H3.
What are the key properties of methyl 1-[(4-fluorophenyl)methyl]-4-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]pyrrolo[3,2-c]pyridine-2-carboxylate?
methyl 1-[(4-fluorophenyl)methyl]-4-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]pyrrolo[3,2-c]pyridine-2-carboxylate has a molecular weight of 470.50 g/mol, XLogP of 5.18, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-[(4-fluorophenyl)methyl]-4-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]pyrrolo[3,2-c]pyridine-2-carboxylate is sourced from PubChem (CID 58110637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).