N-methyl-N-[2-[5-[(3-oxopyrrolidin-1-yl)methyl]-4,5-dihydro-1,3-thiazol-2-yl]-1H-indol-7-yl]pyridine-2-sulfonamide

C22H23N5O3S2 — CID 59135819

IUPACN-methyl-N-[2-[5-[(3-oxopyrrolidin-1-yl)methyl]-4,5-dihydro-1,3-thiazol-2-yl]-1H-indol-7-yl]pyridine-2-sulfonamide
SMILESCN(c1cccc2cc(C3=NCC(CN4CCC(=O)C4)S3)[nH]c12)S(=O)(=O)c1ccccn1
InChIInChI=1S/C22H23N5O3S2/c1-26(32(29,30)20-7-2-3-9-23-20)19-6-4-5-15-11-18(25-21(15)19)22-24-12-17(31-22)14-27-10-8-16(28)13-27/h2-7,9,11,17,25H,8,10,12-14H2,1H3
InChIKeyLXZPHXVCYQXWDE-UHFFFAOYSA-N
MW469.59 g/mol
LogP2.52
Rot. Bonds6

About N-methyl-N-[2-[5-[(3-oxopyrrolidin-1-yl)methyl]-4,5-dihydro-1,3-thiazol-2-yl]-1H-indol-7-yl]pyridine-2-sulfonamide

N-methyl-N-[2-[5-[(3-oxopyrrolidin-1-yl)methyl]-4,5-dihydro-1,3-thiazol-2-yl]-1H-indol-7-yl]pyridine-2-sulfonamide (PubChem CID 59135819) has the molecular formula C22H23N5O3S2 and a molecular weight of 469.59 g/mol. Its IUPAC name is N-methyl-N-[2-[5-[(3-oxopyrrolidin-1-yl)methyl]-4,5-dihydro-1,3-thiazol-2-yl]-1H-indol-7-yl]pyridine-2-sulfonamide.

Molecular Properties

Compound NameN-methyl-N-[2-[5-[(3-oxopyrrolidin-1-yl)methyl]-4,5-dihydro-1,3-thiazol-2-yl]-1H-indol-7-yl]pyridine-2-sulfonamide
PubChem CID59135819
Molecular FormulaC22H23N5O3S2
Molecular Weight469.59 g/mol
Exact Mass469.12
IUPAC NameN-methyl-N-[2-[5-[(3-oxopyrrolidin-1-yl)methyl]-4,5-dihydro-1,3-thiazol-2-yl]-1H-indol-7-yl]pyridine-2-sulfonamide
SMILESCN(c1cccc2cc(C3=NCC(CN4CCC(=O)C4)S3)[nH]c12)S(=O)(=O)c1ccccn1
InChIInChI=1S/C22H23N5O3S2/c1-26(32(29,30)20-7-2-3-9-23-20)19-6-4-5-15-11-18(25-21(15)19)22-24-12-17(31-22)14-27-10-8-16(28)13-27/h2-7,9,11,17,25H,8,10,12-14H2,1H3
InChIKeyLXZPHXVCYQXWDE-UHFFFAOYSA-N
XLogP2.52
TPSA98.73 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.59
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-methyl-N-[2-[5-[(3-oxopyrrolidin-1-yl)methyl]-4,5-dihydro-1,3-thiazol-2-yl]-1H-indol-7-yl]pyridine-2-sulfonamide with MolForge

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Related Compounds

N-[2-[5-[(4-hydroxypiperidin-1-yl)methyl]-4,5-dihydro-1,3-thiazol-2-yl]-1H-indol-7-yl]-N-methylpyridine-2-sulfonamide
CID 59135961
N-[2-[5-[(2,5-dihydroxypyrrol-1-yl)methyl]-4,5-dihydro-1,3-thiazol-2-yl]-1H-indol-7-yl]-N-methylpyridine-2-sulfonamide
CID 90712311
N-[2-[5-[(2-formylimidazol-1-yl)methyl]-4,5-dihydro-1,3-thiazol-2-yl]-1H-indol-7-yl]-N-methylpyridine-2-sulfonamide
CID 89040289
N-[5-hydroxy-2-[5-(thiomorpholin-4-ylmethyl)-4,5-dihydro-1,3-thiazol-2-yl]-1H-indol-7-yl]-N-methylpyridine-2-sulfonamide
CID 57476413
N-[5-(2-methoxyethoxy)-2-[5-(thiomorpholin-4-ylmethyl)-4,5-dihydro-1,3-thiazol-2-yl]-1H-indol-7-yl]-N-methylpyridine-2-sulfonamide
CID 59135845
2-[[7-[methyl(pyridin-2-ylsulfonyl)amino]-2-[5-(thiomorpholin-4-ylmethyl)-4,5-dihydro-1,3-thiazol-2-yl]-1H-indol-5-yl]oxy]acetic acid
CID 59135788
2-[[7-[methyl(pyridin-2-ylsulfonyl)amino]-2-[5-(thiomorpholin-4-ylmethyl)-4,5-dihydro-1,3-thiazol-2-yl]-1H-indol-5-yl]oxy]butanoic acid
CID 68667921
N-[2-[5-[(1,1-dihydroxy-1,4-thiazinan-4-yl)methyl]-4,5-dihydro-1,3-thiazol-2-yl]-5-(2-methoxyethoxy)-1H-indol-7-yl]-N-methylpyridine-2-sulfonamide
CID 24899774
ethyl 2-[[7-[methyl(pyridin-2-ylsulfonyl)amino]-2-[5-[(1-oxo-1,4-thiazinan-4-yl)methyl]-4,5-dihydro-1,3-thiazol-2-yl]-1H-indol-5-yl]oxy]acetate
CID 59708332
N-[5-bromo-2-[5-(morpholin-4-ylmethyl)-4,5-dihydro-1,3-thiazol-2-yl]-1H-indol-7-yl]-N-ethylpyridine-2-sulfonamide
CID 71539262
N-[2-[5-[(4-acetylpiperazin-1-yl)methyl]-4,5-dihydro-1,3-thiazol-2-yl]-5-(3-methylperoxysulfanylpropoxy)-1H-indol-7-yl]-N-methylpyridine-2-sulfonamide
CID 59136079
N-[2-[5-(2-hydroxyethyl)-4,5-dihydro-1,3-thiazol-2-yl]-1H-indol-7-yl]-N-methylthiophene-2-sulfonamide
CID 57476293

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[2-[5-[(3-oxopyrrolidin-1-yl)methyl]-4,5-dihydro-1,3-thiazol-2-yl]-1H-indol-7-yl]pyridine-2-sulfonamide?
The IUPAC name of N-methyl-N-[2-[5-[(3-oxopyrrolidin-1-yl)methyl]-4,5-dihydro-1,3-thiazol-2-yl]-1H-indol-7-yl]pyridine-2-sulfonamide (CID 59135819) is N-methyl-N-[2-[5-[(3-oxopyrrolidin-1-yl)methyl]-4,5-dihydro-1,3-thiazol-2-yl]-1H-indol-7-yl]pyridine-2-sulfonamide.
What is the SMILES notation for N-methyl-N-[2-[5-[(3-oxopyrrolidin-1-yl)methyl]-4,5-dihydro-1,3-thiazol-2-yl]-1H-indol-7-yl]pyridine-2-sulfonamide?
The canonical SMILES for N-methyl-N-[2-[5-[(3-oxopyrrolidin-1-yl)methyl]-4,5-dihydro-1,3-thiazol-2-yl]-1H-indol-7-yl]pyridine-2-sulfonamide is CN(c1cccc2cc(C3=NCC(CN4CCC(=O)C4)S3)[nH]c12)S(=O)(=O)c1ccccn1.
What is the InChIKey of N-methyl-N-[2-[5-[(3-oxopyrrolidin-1-yl)methyl]-4,5-dihydro-1,3-thiazol-2-yl]-1H-indol-7-yl]pyridine-2-sulfonamide?
The InChIKey is LXZPHXVCYQXWDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N5O3S2/c1-26(32(29,30)20-7-2-3-9-23-20)19-6-4-5-15-11-18(25-21(15)19)22-24-12-17(31-22)14-27-10-8-16(28)13-27/h2-7,9,11,17,25H,8,10,12-14H2,1H3.
What are the key properties of N-methyl-N-[2-[5-[(3-oxopyrrolidin-1-yl)methyl]-4,5-dihydro-1,3-thiazol-2-yl]-1H-indol-7-yl]pyridine-2-sulfonamide?
N-methyl-N-[2-[5-[(3-oxopyrrolidin-1-yl)methyl]-4,5-dihydro-1,3-thiazol-2-yl]-1H-indol-7-yl]pyridine-2-sulfonamide has a molecular weight of 469.59 g/mol, XLogP of 2.52, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[2-[5-[(3-oxopyrrolidin-1-yl)methyl]-4,5-dihydro-1,3-thiazol-2-yl]-1H-indol-7-yl]pyridine-2-sulfonamide is sourced from PubChem (CID 59135819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).