N-[3-(2-fluoro-5-pyrrolidin-1-ylphenyl)-5-methyl-1H-pyrrolo[2,3-b]pyridin-4-yl]-5-methylpyridine-2-sulfonamide

C24H24FN5O2S — CID 123284296

IUPACN-[3-(2-fluoro-5-pyrrolidin-1-ylphenyl)-5-methyl-1H-pyrrolo[2,3-b]pyridin-4-yl]-5-methylpyridine-2-sulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2c(C)cnc3[nH]cc(-c4cc(N5CCCC5)ccc4F)c23)nc1
InChIInChI=1S/C24H24FN5O2S/c1-15-5-8-21(26-12-15)33(31,32)29-23-16(2)13-27-24-22(23)19(14-28-24)18-11-17(6-7-20(18)25)30-9-3-4-10-30/h5-8,11-14H,3-4,9-10H2,1-2H3,(H2,27,28,29)
InChIKeyGNTPOOWGTXAMCB-UHFFFAOYSA-N
MW465.55 g/mol
LogP4.78
Rot. Bonds5

About N-[3-(2-fluoro-5-pyrrolidin-1-ylphenyl)-5-methyl-1H-pyrrolo[2,3-b]pyridin-4-yl]-5-methylpyridine-2-sulfonamide

N-[3-(2-fluoro-5-pyrrolidin-1-ylphenyl)-5-methyl-1H-pyrrolo[2,3-b]pyridin-4-yl]-5-methylpyridine-2-sulfonamide (PubChem CID 123284296) has the molecular formula C24H24FN5O2S and a molecular weight of 465.55 g/mol. Its IUPAC name is N-[3-(2-fluoro-5-pyrrolidin-1-ylphenyl)-5-methyl-1H-pyrrolo[2,3-b]pyridin-4-yl]-5-methylpyridine-2-sulfonamide.

Molecular Properties

Compound NameN-[3-(2-fluoro-5-pyrrolidin-1-ylphenyl)-5-methyl-1H-pyrrolo[2,3-b]pyridin-4-yl]-5-methylpyridine-2-sulfonamide
PubChem CID123284296
Molecular FormulaC24H24FN5O2S
Molecular Weight465.55 g/mol
Exact Mass465.16
IUPAC NameN-[3-(2-fluoro-5-pyrrolidin-1-ylphenyl)-5-methyl-1H-pyrrolo[2,3-b]pyridin-4-yl]-5-methylpyridine-2-sulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2c(C)cnc3[nH]cc(-c4cc(N5CCCC5)ccc4F)c23)nc1
InChIInChI=1S/C24H24FN5O2S/c1-15-5-8-21(26-12-15)33(31,32)29-23-16(2)13-27-24-22(23)19(14-28-24)18-11-17(6-7-20(18)25)30-9-3-4-10-30/h5-8,11-14H,3-4,9-10H2,1-2H3,(H2,27,28,29)
InChIKeyGNTPOOWGTXAMCB-UHFFFAOYSA-N
XLogP4.78
TPSA90.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.55
LogP ≤ 54.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-cyano-N-[3-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]cyclobutyl]pyridine-2-sulfonamide
CID 78324135
N,N-Dimethyl-4-[(6r)-6-Methyl-5-(1h-Pyrrolo[2,3-B]pyridin-4-Yl)-4,5,6,7-Tetrahydropyrazolo[1,5-A]pyrazin-3-Yl]benzenesulfonamide
CID 86306050
Pyrrolopyrimidine, 13c
CID 11996779
1'-Methyl-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)spiro[indoline-3,4'-piperidine]
CID 24971382
N-(3-{[(5-Cyano-2-Phenyl-1h-Pyrrolo[2,3-B]pyridin-4-Yl)amino]methyl}pyridin-2-Yl)-N-Methylmethanesulfonamide
CID 71277531
N-[2-chloro-5-(1H-pyrrolo[2,3-b]pyridin-5-yl)pyridin-3-yl]benzenesulphonamide
CID 23652981
N-methyl-3-[[6-(3-methylphenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]benzenesulfonamide
CID 67995956
N-methyl-3-[(6-phenyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]benzenesulfonamide
CID 67996291
N-methyl-3-[(6-pyridin-4-yl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]benzenesulfonamide
CID 70649109
N-methyl-3-[[6-(4-methylphenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]benzenesulfonamide
CID 70649110
Benzenesulfonamide, N-[2-chloro-5-[3-(4-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-pyridinyl]-4-fluoro-
CID 145977475
4-(3-pyridin-3-yl-1~{H}-pyrrolo[2,3-b]pyridin-5-yl)benzenesulfonamide
CID 134812697

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-fluoro-5-pyrrolidin-1-ylphenyl)-5-methyl-1H-pyrrolo[2,3-b]pyridin-4-yl]-5-methylpyridine-2-sulfonamide?
The IUPAC name of N-[3-(2-fluoro-5-pyrrolidin-1-ylphenyl)-5-methyl-1H-pyrrolo[2,3-b]pyridin-4-yl]-5-methylpyridine-2-sulfonamide (CID 123284296) is N-[3-(2-fluoro-5-pyrrolidin-1-ylphenyl)-5-methyl-1H-pyrrolo[2,3-b]pyridin-4-yl]-5-methylpyridine-2-sulfonamide.
What is the SMILES notation for N-[3-(2-fluoro-5-pyrrolidin-1-ylphenyl)-5-methyl-1H-pyrrolo[2,3-b]pyridin-4-yl]-5-methylpyridine-2-sulfonamide?
The canonical SMILES for N-[3-(2-fluoro-5-pyrrolidin-1-ylphenyl)-5-methyl-1H-pyrrolo[2,3-b]pyridin-4-yl]-5-methylpyridine-2-sulfonamide is Cc1ccc(S(=O)(=O)Nc2c(C)cnc3[nH]cc(-c4cc(N5CCCC5)ccc4F)c23)nc1.
What is the InChIKey of N-[3-(2-fluoro-5-pyrrolidin-1-ylphenyl)-5-methyl-1H-pyrrolo[2,3-b]pyridin-4-yl]-5-methylpyridine-2-sulfonamide?
The InChIKey is GNTPOOWGTXAMCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24FN5O2S/c1-15-5-8-21(26-12-15)33(31,32)29-23-16(2)13-27-24-22(23)19(14-28-24)18-11-17(6-7-20(18)25)30-9-3-4-10-30/h5-8,11-14H,3-4,9-10H2,1-2H3,(H2,27,28,29).
What are the key properties of N-[3-(2-fluoro-5-pyrrolidin-1-ylphenyl)-5-methyl-1H-pyrrolo[2,3-b]pyridin-4-yl]-5-methylpyridine-2-sulfonamide?
N-[3-(2-fluoro-5-pyrrolidin-1-ylphenyl)-5-methyl-1H-pyrrolo[2,3-b]pyridin-4-yl]-5-methylpyridine-2-sulfonamide has a molecular weight of 465.55 g/mol, XLogP of 4.78, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-fluoro-5-pyrrolidin-1-ylphenyl)-5-methyl-1H-pyrrolo[2,3-b]pyridin-4-yl]-5-methylpyridine-2-sulfonamide is sourced from PubChem (CID 123284296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).