N-[3-(5-fluoro-1-methyl-2,3-dihydroindol-6-yl)-5-methyl-1H-pyrrolo[2,3-b]pyridin-4-yl]-5-methylpyridine-2-sulfonamide

C23H22FN5O2S — CID 123989817

IUPACN-[3-(5-fluoro-1-methyl-2,3-dihydroindol-6-yl)-5-methyl-1H-pyrrolo[2,3-b]pyridin-4-yl]-5-methylpyridine-2-sulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2c(C)cnc3[nH]cc(-c4cc5c(cc4F)CCN5C)c23)nc1
InChIInChI=1S/C23H22FN5O2S/c1-13-4-5-20(25-10-13)32(30,31)28-22-14(2)11-26-23-21(22)17(12-27-23)16-9-19-15(8-18(16)24)6-7-29(19)3/h4-5,8-12H,6-7H2,1-3H3,(H2,26,27,28)
InChIKeyLSHDFRLENUFKKK-UHFFFAOYSA-N
MW451.53 g/mol
LogP4.17
Rot. Bonds4

About N-[3-(5-fluoro-1-methyl-2,3-dihydroindol-6-yl)-5-methyl-1H-pyrrolo[2,3-b]pyridin-4-yl]-5-methylpyridine-2-sulfonamide

N-[3-(5-fluoro-1-methyl-2,3-dihydroindol-6-yl)-5-methyl-1H-pyrrolo[2,3-b]pyridin-4-yl]-5-methylpyridine-2-sulfonamide (PubChem CID 123989817) has the molecular formula C23H22FN5O2S and a molecular weight of 451.53 g/mol. Its IUPAC name is N-[3-(5-fluoro-1-methyl-2,3-dihydroindol-6-yl)-5-methyl-1H-pyrrolo[2,3-b]pyridin-4-yl]-5-methylpyridine-2-sulfonamide.

Molecular Properties

Compound NameN-[3-(5-fluoro-1-methyl-2,3-dihydroindol-6-yl)-5-methyl-1H-pyrrolo[2,3-b]pyridin-4-yl]-5-methylpyridine-2-sulfonamide
PubChem CID123989817
Molecular FormulaC23H22FN5O2S
Molecular Weight451.53 g/mol
Exact Mass451.15
IUPAC NameN-[3-(5-fluoro-1-methyl-2,3-dihydroindol-6-yl)-5-methyl-1H-pyrrolo[2,3-b]pyridin-4-yl]-5-methylpyridine-2-sulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2c(C)cnc3[nH]cc(-c4cc5c(cc4F)CCN5C)c23)nc1
InChIInChI=1S/C23H22FN5O2S/c1-13-4-5-20(25-10-13)32(30,31)28-22-14(2)11-26-23-21(22)17(12-27-23)16-9-19-15(8-18(16)24)6-7-29(19)3/h4-5,8-12H,6-7H2,1-3H3,(H2,26,27,28)
InChIKeyLSHDFRLENUFKKK-UHFFFAOYSA-N
XLogP4.17
TPSA90.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.53
LogP ≤ 54.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1-Isopropyl-3-(1-methylindolin-6-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl)-1-methyl-1H-pyrazole-3-sulfonamide
CID 71090129
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-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
4-(3-pyridin-3-yl-1~{H}-pyrrolo[2,3-b]pyridin-5-yl)benzenesulfonamide
CID 134812697
JAK3 covalent inhibitor-1
CID 137321159
DC-BPi-11
CID 163410002
N,N-dimethyl-4-[5-(1H-pyrrolo[2,3-b]pyridin-4-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-3-yl]benzenesulfonamide
CID 118720612
4-(4-pyrrolidin-1-ylsulfonylphenyl)-1H-pyrrolo[2,3-b]pyridine
CID 23648920
N-[3-[3-[4-(aminomethyl)phenyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]methanesulfonamide
CID 44529745

Frequently Asked Questions

What is the IUPAC name of N-[3-(5-fluoro-1-methyl-2,3-dihydroindol-6-yl)-5-methyl-1H-pyrrolo[2,3-b]pyridin-4-yl]-5-methylpyridine-2-sulfonamide?
The IUPAC name of N-[3-(5-fluoro-1-methyl-2,3-dihydroindol-6-yl)-5-methyl-1H-pyrrolo[2,3-b]pyridin-4-yl]-5-methylpyridine-2-sulfonamide (CID 123989817) is N-[3-(5-fluoro-1-methyl-2,3-dihydroindol-6-yl)-5-methyl-1H-pyrrolo[2,3-b]pyridin-4-yl]-5-methylpyridine-2-sulfonamide.
What is the SMILES notation for N-[3-(5-fluoro-1-methyl-2,3-dihydroindol-6-yl)-5-methyl-1H-pyrrolo[2,3-b]pyridin-4-yl]-5-methylpyridine-2-sulfonamide?
The canonical SMILES for N-[3-(5-fluoro-1-methyl-2,3-dihydroindol-6-yl)-5-methyl-1H-pyrrolo[2,3-b]pyridin-4-yl]-5-methylpyridine-2-sulfonamide is Cc1ccc(S(=O)(=O)Nc2c(C)cnc3[nH]cc(-c4cc5c(cc4F)CCN5C)c23)nc1.
What is the InChIKey of N-[3-(5-fluoro-1-methyl-2,3-dihydroindol-6-yl)-5-methyl-1H-pyrrolo[2,3-b]pyridin-4-yl]-5-methylpyridine-2-sulfonamide?
The InChIKey is LSHDFRLENUFKKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22FN5O2S/c1-13-4-5-20(25-10-13)32(30,31)28-22-14(2)11-26-23-21(22)17(12-27-23)16-9-19-15(8-18(16)24)6-7-29(19)3/h4-5,8-12H,6-7H2,1-3H3,(H2,26,27,28).
What are the key properties of N-[3-(5-fluoro-1-methyl-2,3-dihydroindol-6-yl)-5-methyl-1H-pyrrolo[2,3-b]pyridin-4-yl]-5-methylpyridine-2-sulfonamide?
N-[3-(5-fluoro-1-methyl-2,3-dihydroindol-6-yl)-5-methyl-1H-pyrrolo[2,3-b]pyridin-4-yl]-5-methylpyridine-2-sulfonamide has a molecular weight of 451.53 g/mol, XLogP of 4.17, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(5-fluoro-1-methyl-2,3-dihydroindol-6-yl)-5-methyl-1H-pyrrolo[2,3-b]pyridin-4-yl]-5-methylpyridine-2-sulfonamide is sourced from PubChem (CID 123989817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).