4-methyl-N-[[4-(1-methylpyrrolo[3,2-b]pyridin-5-yl)-2-pyridinyl]methyl]-3-methylsulfonylbenzamide

C23H22N4O3S — CID 177019450

IUPAC4-methyl-N-[[4-(1-methylpyrrolo[3,2-b]pyridin-5-yl)-2-pyridinyl]methyl]-3-methylsulfonylbenzamide
SMILESCc1ccc(C(=O)NCc2cc(-c3ccc4c(ccn4C)n3)ccn2)cc1S(C)(=O)=O
InChIInChI=1S/C23H22N4O3S/c1-15-4-5-17(13-22(15)31(3,29)30)23(28)25-14-18-12-16(8-10-24-18)19-6-7-21-20(26-19)9-11-27(21)2/h4-13H,14H2,1-3H3,(H,25,28)
InChIKeyJSVGAMFEBFNKKR-UHFFFAOYSA-N
MW434.52 g/mol
LogP3.28
Rot. Bonds5

About 4-methyl-N-[[4-(1-methylpyrrolo[3,2-b]pyridin-5-yl)-2-pyridinyl]methyl]-3-methylsulfonylbenzamide

4-methyl-N-[[4-(1-methylpyrrolo[3,2-b]pyridin-5-yl)-2-pyridinyl]methyl]-3-methylsulfonylbenzamide (PubChem CID 177019450) has the molecular formula C23H22N4O3S and a molecular weight of 434.52 g/mol. Its IUPAC name is 4-methyl-N-[[4-(1-methylpyrrolo[3,2-b]pyridin-5-yl)-2-pyridinyl]methyl]-3-methylsulfonylbenzamide.

Molecular Properties

Compound Name4-methyl-N-[[4-(1-methylpyrrolo[3,2-b]pyridin-5-yl)-2-pyridinyl]methyl]-3-methylsulfonylbenzamide
PubChem CID177019450
Molecular FormulaC23H22N4O3S
Molecular Weight434.52 g/mol
Exact Mass434.14
IUPAC Name4-methyl-N-[[4-(1-methylpyrrolo[3,2-b]pyridin-5-yl)-2-pyridinyl]methyl]-3-methylsulfonylbenzamide
SMILESCc1ccc(C(=O)NCc2cc(-c3ccc4c(ccn4C)n3)ccn2)cc1S(C)(=O)=O
InChIInChI=1S/C23H22N4O3S/c1-15-4-5-17(13-22(15)31(3,29)30)23(28)25-14-18-12-16(8-10-24-18)19-6-7-21-20(26-19)9-11-27(21)2/h4-13H,14H2,1-3H3,(H,25,28)
InChIKeyJSVGAMFEBFNKKR-UHFFFAOYSA-N
XLogP3.28
TPSA93.95 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.52
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4-methyl-N-[[4-(1-methylpyrrolo[3,2-b]pyridin-5-yl)-2-pyridinyl]methyl]-3-methylsulfonylbenzamide with MolForge

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Related Compounds

N-[[4-(4-fluoro-3-pyridin-2-ylphenyl)-2-pyridinyl]methyl]-4-methyl-3-methylsulfonylbenzamide
CID 177019414
N-[[6-(6-ethyl-2-pyridinyl)pyrido[3,2-c]pyridazin-3-yl]methyl]-4-methyl-3-methylsulfonylbenzamide
CID 164906932
N-[[2-[6-(1,1-dioxo-1,3-thiazinan-3-yl)-2-pyridinyl]-1,6-naphthyridin-7-yl]methyl]-4-methyl-3-methylsulfonylbenzamide
CID 176665279
4-methyl-3-methylsulfonyl-N-[[2-[6-[(1R,5S)-8-oxa-3-azabicyclo[3.2.1]octan-3-yl]-2-pyridinyl]-1,6-naphthyridin-7-yl]methyl]benzamide
CID 176665280
N-[[2-[6-[(3S,5R)-4-(2-hydroxyethyl)-3,5-dimethylpiperidin-1-yl]-2-pyridinyl]-1,6-naphthyridin-7-yl]methyl]-4-methyl-3-methylsulfonylbenzamide
CID 176665510
N-[[2-[6-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-4-formyl-2-pyridinyl]-1,6-naphthyridin-7-yl]methyl]-4-methyl-3-methylsulfonylbenzamide;molecular hydrogen
CID 176665222
N-[[4-[(3E)-5-iminohepta-1,3,6-trien-3-yl]-2-pyridinyl]methyl]-4-methyl-3-methylsulfonylbenzamide;molecular hydrogen
CID 177019432
N-[[4-(2-methoxy-4-pyridinyl)-2-pyridinyl]methyl]-4-methyl-3-methylsulfanylbenzamide
CID 177019515
N-[[4-[3-[6-(dimethylamino)-2-pyridinyl]phenyl]-2-pyridinyl]methyl]-4-methyl-3-methylsulfanylbenzamide
CID 177019434
N-[[4-[2-(2-hydroxyphenyl)-4-pyridinyl]-2-pyridinyl]methyl]-4-methyl-3-methylsulfanylbenzamide
CID 177019387
4-methyl-N-[2-(methylamino)ethyl]-3-methylsulfonylbenzamide
CID 119501364
N-[[6-[2-[4-[2-[2-[2-[4-[3-(4-bromophenyl)-2-(2-chloroacetyl)-3,4-dihydropyrazol-5-yl]phenoxy]ethoxy]ethoxy]ethyl]piperazin-1-yl]-4-pyridinyl]pyrido[3,2-c]pyridazin-3-yl]methyl]-4-methyl-3-methylsulfonylbenzamide
CID 164907160

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[[4-(1-methylpyrrolo[3,2-b]pyridin-5-yl)-2-pyridinyl]methyl]-3-methylsulfonylbenzamide?
The IUPAC name of 4-methyl-N-[[4-(1-methylpyrrolo[3,2-b]pyridin-5-yl)-2-pyridinyl]methyl]-3-methylsulfonylbenzamide (CID 177019450) is 4-methyl-N-[[4-(1-methylpyrrolo[3,2-b]pyridin-5-yl)-2-pyridinyl]methyl]-3-methylsulfonylbenzamide.
What is the SMILES notation for 4-methyl-N-[[4-(1-methylpyrrolo[3,2-b]pyridin-5-yl)-2-pyridinyl]methyl]-3-methylsulfonylbenzamide?
The canonical SMILES for 4-methyl-N-[[4-(1-methylpyrrolo[3,2-b]pyridin-5-yl)-2-pyridinyl]methyl]-3-methylsulfonylbenzamide is Cc1ccc(C(=O)NCc2cc(-c3ccc4c(ccn4C)n3)ccn2)cc1S(C)(=O)=O.
What is the InChIKey of 4-methyl-N-[[4-(1-methylpyrrolo[3,2-b]pyridin-5-yl)-2-pyridinyl]methyl]-3-methylsulfonylbenzamide?
The InChIKey is JSVGAMFEBFNKKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N4O3S/c1-15-4-5-17(13-22(15)31(3,29)30)23(28)25-14-18-12-16(8-10-24-18)19-6-7-21-20(26-19)9-11-27(21)2/h4-13H,14H2,1-3H3,(H,25,28).
What are the key properties of 4-methyl-N-[[4-(1-methylpyrrolo[3,2-b]pyridin-5-yl)-2-pyridinyl]methyl]-3-methylsulfonylbenzamide?
4-methyl-N-[[4-(1-methylpyrrolo[3,2-b]pyridin-5-yl)-2-pyridinyl]methyl]-3-methylsulfonylbenzamide has a molecular weight of 434.52 g/mol, XLogP of 3.28, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[[4-(1-methylpyrrolo[3,2-b]pyridin-5-yl)-2-pyridinyl]methyl]-3-methylsulfonylbenzamide is sourced from PubChem (CID 177019450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).