1-[(2-fluorophenyl)methyl]-5-methoxy-3-(2-methoxy-3-pyridinyl)-N-methylsulfonylpyrrolo[2,3-c]pyridine-2-carboxamide

C23H21FN4O5S — CID 59490904

IUPAC1-[(2-fluorophenyl)methyl]-5-methoxy-3-(2-methoxy-3-pyridinyl)-N-methylsulfonylpyrrolo[2,3-c]pyridine-2-carboxamide
SMILESCOc1cc2c(-c3cccnc3OC)c(C(=O)NS(C)(=O)=O)n(Cc3ccccc3F)c2cn1
InChIInChI=1S/C23H21FN4O5S/c1-32-19-11-16-18(12-26-19)28(13-14-7-4-5-9-17(14)24)21(22(29)27-34(3,30)31)20(16)15-8-6-10-25-23(15)33-2/h4-12H,13H2,1-3H3,(H,27,29)
InChIKeyYBHVYYYXURSGNW-UHFFFAOYSA-N
MW484.51 g/mol
LogP2.99
Rot. Bonds7

About 1-[(2-fluorophenyl)methyl]-5-methoxy-3-(2-methoxy-3-pyridinyl)-N-methylsulfonylpyrrolo[2,3-c]pyridine-2-carboxamide

1-[(2-fluorophenyl)methyl]-5-methoxy-3-(2-methoxy-3-pyridinyl)-N-methylsulfonylpyrrolo[2,3-c]pyridine-2-carboxamide (PubChem CID 59490904) has the molecular formula C23H21FN4O5S and a molecular weight of 484.51 g/mol. Its IUPAC name is 1-[(2-fluorophenyl)methyl]-5-methoxy-3-(2-methoxy-3-pyridinyl)-N-methylsulfonylpyrrolo[2,3-c]pyridine-2-carboxamide.

Molecular Properties

Compound Name1-[(2-fluorophenyl)methyl]-5-methoxy-3-(2-methoxy-3-pyridinyl)-N-methylsulfonylpyrrolo[2,3-c]pyridine-2-carboxamide
PubChem CID59490904
Molecular FormulaC23H21FN4O5S
Molecular Weight484.51 g/mol
Exact Mass484.12
IUPAC Name1-[(2-fluorophenyl)methyl]-5-methoxy-3-(2-methoxy-3-pyridinyl)-N-methylsulfonylpyrrolo[2,3-c]pyridine-2-carboxamide
SMILESCOc1cc2c(-c3cccnc3OC)c(C(=O)NS(C)(=O)=O)n(Cc3ccccc3F)c2cn1
InChIInChI=1S/C23H21FN4O5S/c1-32-19-11-16-18(12-26-19)28(13-14-7-4-5-9-17(14)24)21(22(29)27-34(3,30)31)20(16)15-8-6-10-25-23(15)33-2/h4-12H,13H2,1-3H3,(H,27,29)
InChIKeyYBHVYYYXURSGNW-UHFFFAOYSA-N
XLogP2.99
TPSA112.41 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.51
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

2,2-difluoro-6-[(2-fluorophenyl)methyl]-8-(2-methoxy-3-pyridinyl)-N-methylsulfonyl-[1,3]dioxolo[4,5-e]indole-7-carboxamide
CID 59283465
1-[5-bromo-1-[(2-fluorophenyl)methyl]-3-(2-methoxy-3-pyridinyl)indol-2-yl]-2-ethylsulfonylethanone
CID 58132375
5-ethyl-6-fluoro-1-[(2-fluorophenyl)methyl]-N-methylsulfonyl-3-(2-oxo-1H-pyridin-3-yl)indole-2-carboxamide
CID 25225825
3-[(2,4-difluorophenyl)methyl]-1-(2-methoxy-3-pyridinyl)-N-sulfanylbenzo[e]indole-2-carboxamide
CID 89041218
1-[3-(2-fluorophenyl)-1-[(2-fluorophenyl)methyl]-5-methylindol-2-yl]ethanone
CID 58240863
5-bromo-N-ethylsulfonyl-1-[(2-fluorophenyl)methyl]-3-(2-oxo-1H-pyridin-3-yl)indole-2-carboxamide
CID 58132469
cyclopropanesulfonamide;N-cyclopropylsulfonyl-5-fluoro-3-[(2-fluoro-5-nitrophenyl)methyl]-1-(2-methoxy-3-pyridinyl)benzo[e]indole-2-carboxamide;5-fluoro-3-[(2-fluoro-5-nitrophenyl)methyl]-1-(2-methoxy-3-pyridinyl)benzo[e]indole-2-carboxylic acid;methane
CID 159652511
3-(2-fluorophenyl)-1-[(2-fluorophenyl)methyl]-5-methylindole-2-carboxylic acid
CID 25226741
ethyl 1-[(2,5-difluorophenyl)methyl]-3-(2-methoxy-3-pyridinyl)-5-[(Z)-prop-1-enyl]indole-2-carboxylate
CID 58132497
ethyl 1-[(2,4-difluorophenyl)methyl]-3-(2-methoxy-3-pyridinyl)-5-[(1R,2S)-2-methylcyclopropyl]indole-2-carboxylate
CID 66673325
5-chloro-1-[(2-fluorophenyl)methyl]-N-[3-(methanesulfonamido)phenyl]sulfonyl-3-(2-oxo-1H-pyridin-3-yl)indole-2-carboxamide
CID 25224866
1-[[5-(aminomethyl)-2-fluorophenyl]methyl]-5-ethyl-N-methylsulfonyl-3-(2-oxo-1H-pyridin-3-yl)indole-2-carboxamide;N-cyclopropylsulfonyl-1-[(2,5-difluorophenyl)methyl]-5-methyl-3-(2-oxo-1H-pyridin-3-yl)indole-2-carboxamide;N-cyclopropylsulfonyl-5-ethyl-1-[(2-fluorophenyl)methyl]-3-(2-oxo-1H-pyridin-3-yl)indole-2-carboxamide;N-cyclopropylsulfonyl-5-ethyl-1-[(2-fluoro-3-pyridinyl)methyl]-3-(2-oxo-1H-pyridin-3-yl)indole-2-carboxamide;N-cyclopropylsulfonyl-6-fluoro-1-[(2-fluorophenyl)methyl]-5-methyl-3-(2-oxo-1H-pyridin-3-yl)indole-2-carboxamide
CID 161402054

Frequently Asked Questions

What is the IUPAC name of 1-[(2-fluorophenyl)methyl]-5-methoxy-3-(2-methoxy-3-pyridinyl)-N-methylsulfonylpyrrolo[2,3-c]pyridine-2-carboxamide?
The IUPAC name of 1-[(2-fluorophenyl)methyl]-5-methoxy-3-(2-methoxy-3-pyridinyl)-N-methylsulfonylpyrrolo[2,3-c]pyridine-2-carboxamide (CID 59490904) is 1-[(2-fluorophenyl)methyl]-5-methoxy-3-(2-methoxy-3-pyridinyl)-N-methylsulfonylpyrrolo[2,3-c]pyridine-2-carboxamide.
What is the SMILES notation for 1-[(2-fluorophenyl)methyl]-5-methoxy-3-(2-methoxy-3-pyridinyl)-N-methylsulfonylpyrrolo[2,3-c]pyridine-2-carboxamide?
The canonical SMILES for 1-[(2-fluorophenyl)methyl]-5-methoxy-3-(2-methoxy-3-pyridinyl)-N-methylsulfonylpyrrolo[2,3-c]pyridine-2-carboxamide is COc1cc2c(-c3cccnc3OC)c(C(=O)NS(C)(=O)=O)n(Cc3ccccc3F)c2cn1.
What is the InChIKey of 1-[(2-fluorophenyl)methyl]-5-methoxy-3-(2-methoxy-3-pyridinyl)-N-methylsulfonylpyrrolo[2,3-c]pyridine-2-carboxamide?
The InChIKey is YBHVYYYXURSGNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21FN4O5S/c1-32-19-11-16-18(12-26-19)28(13-14-7-4-5-9-17(14)24)21(22(29)27-34(3,30)31)20(16)15-8-6-10-25-23(15)33-2/h4-12H,13H2,1-3H3,(H,27,29).
What are the key properties of 1-[(2-fluorophenyl)methyl]-5-methoxy-3-(2-methoxy-3-pyridinyl)-N-methylsulfonylpyrrolo[2,3-c]pyridine-2-carboxamide?
1-[(2-fluorophenyl)methyl]-5-methoxy-3-(2-methoxy-3-pyridinyl)-N-methylsulfonylpyrrolo[2,3-c]pyridine-2-carboxamide has a molecular weight of 484.51 g/mol, XLogP of 2.99, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-fluorophenyl)methyl]-5-methoxy-3-(2-methoxy-3-pyridinyl)-N-methylsulfonylpyrrolo[2,3-c]pyridine-2-carboxamide is sourced from PubChem (CID 59490904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).