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

C25H26FN5O2S — CID 123385203

IUPACN-[3-(5-fluoro-1-methyl-2,3-dihydroindol-6-yl)-5-propan-2-yl-1H-pyrrolo[2,3-b]pyridin-4-yl]-5-methylpyridine-2-sulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2c(C(C)C)cnc3[nH]cc(-c4cc5c(cc4F)CCN5C)c23)nc1
InChIInChI=1S/C25H26FN5O2S/c1-14(2)18-12-28-25-23(24(18)30-34(32,33)22-6-5-15(3)11-27-22)19(13-29-25)17-10-21-16(9-20(17)26)7-8-31(21)4/h5-6,9-14H,7-8H2,1-4H3,(H2,28,29,30)
InChIKeyBBKYJFAZKJVMOF-UHFFFAOYSA-N
MW479.58 g/mol
LogP4.99
Rot. Bonds5

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

N-[3-(5-fluoro-1-methyl-2,3-dihydroindol-6-yl)-5-propan-2-yl-1H-pyrrolo[2,3-b]pyridin-4-yl]-5-methylpyridine-2-sulfonamide (PubChem CID 123385203) has the molecular formula C25H26FN5O2S and a molecular weight of 479.58 g/mol. Its IUPAC name is N-[3-(5-fluoro-1-methyl-2,3-dihydroindol-6-yl)-5-propan-2-yl-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-propan-2-yl-1H-pyrrolo[2,3-b]pyridin-4-yl]-5-methylpyridine-2-sulfonamide
PubChem CID123385203
Molecular FormulaC25H26FN5O2S
Molecular Weight479.58 g/mol
Exact Mass479.18
IUPAC NameN-[3-(5-fluoro-1-methyl-2,3-dihydroindol-6-yl)-5-propan-2-yl-1H-pyrrolo[2,3-b]pyridin-4-yl]-5-methylpyridine-2-sulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2c(C(C)C)cnc3[nH]cc(-c4cc5c(cc4F)CCN5C)c23)nc1
InChIInChI=1S/C25H26FN5O2S/c1-14(2)18-12-28-25-23(24(18)30-34(32,33)22-6-5-15(3)11-27-22)19(13-29-25)17-10-21-16(9-20(17)26)7-8-31(21)4/h5-6,9-14H,7-8H2,1-4H3,(H2,28,29,30)
InChIKeyBBKYJFAZKJVMOF-UHFFFAOYSA-N
XLogP4.99
TPSA90.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.58
LogP ≤ 54.99
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
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
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
N-(5-(3-(pyridin-3-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl)pyridin-3-yl)benzenesulfonamide
CID 50925575
N-methyl-3-(9H-pyrimido[4,5-b]indol-4-ylamino)benzenesulfonamide
CID 52933587
N-[5-[3-[3-(methanesulfonamido)phenyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-pyridinyl]benzenesulfonamide
CID 52947519

Frequently Asked Questions

What is the IUPAC name of N-[3-(5-fluoro-1-methyl-2,3-dihydroindol-6-yl)-5-propan-2-yl-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-propan-2-yl-1H-pyrrolo[2,3-b]pyridin-4-yl]-5-methylpyridine-2-sulfonamide (CID 123385203) is N-[3-(5-fluoro-1-methyl-2,3-dihydroindol-6-yl)-5-propan-2-yl-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-propan-2-yl-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-propan-2-yl-1H-pyrrolo[2,3-b]pyridin-4-yl]-5-methylpyridine-2-sulfonamide is Cc1ccc(S(=O)(=O)Nc2c(C(C)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-propan-2-yl-1H-pyrrolo[2,3-b]pyridin-4-yl]-5-methylpyridine-2-sulfonamide?
The InChIKey is BBKYJFAZKJVMOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26FN5O2S/c1-14(2)18-12-28-25-23(24(18)30-34(32,33)22-6-5-15(3)11-27-22)19(13-29-25)17-10-21-16(9-20(17)26)7-8-31(21)4/h5-6,9-14H,7-8H2,1-4H3,(H2,28,29,30).
What are the key properties of N-[3-(5-fluoro-1-methyl-2,3-dihydroindol-6-yl)-5-propan-2-yl-1H-pyrrolo[2,3-b]pyridin-4-yl]-5-methylpyridine-2-sulfonamide?
N-[3-(5-fluoro-1-methyl-2,3-dihydroindol-6-yl)-5-propan-2-yl-1H-pyrrolo[2,3-b]pyridin-4-yl]-5-methylpyridine-2-sulfonamide has a molecular weight of 479.58 g/mol, XLogP of 4.99, 5 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-propan-2-yl-1H-pyrrolo[2,3-b]pyridin-4-yl]-5-methylpyridine-2-sulfonamide is sourced from PubChem (CID 123385203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).