2-[(3S)-1-(2,3-dihydro-1H-inden-5-ylsulfonyl)pyrrolidin-3-yl]-3-propan-2-ylimidazo[4,5-c]pyridine

C22H26N4O2S — CID 97429552

IUPAC2-[(3S)-1-(2,3-dihydro-1H-inden-5-ylsulfonyl)pyrrolidin-3-yl]-3-propan-2-ylimidazo[4,5-c]pyridine
SMILESCC(C)n1c([C@H]2CCN(S(=O)(=O)c3ccc4c(c3)CCC4)C2)nc2ccncc21
InChIInChI=1S/C22H26N4O2S/c1-15(2)26-21-13-23-10-8-20(21)24-22(26)18-9-11-25(14-18)29(27,28)19-7-6-16-4-3-5-17(16)12-19/h6-8,10,12-13,15,18H,3-5,9,11,14H2,1-2H3/t18-/m0/s1
InChIKeyTVIYGCDQNIQJGV-SFHVURJKSA-N
MW410.54 g/mol
LogP3.68
Rot. Bonds4

About 2-[(3S)-1-(2,3-dihydro-1H-inden-5-ylsulfonyl)pyrrolidin-3-yl]-3-propan-2-ylimidazo[4,5-c]pyridine

2-[(3S)-1-(2,3-dihydro-1H-inden-5-ylsulfonyl)pyrrolidin-3-yl]-3-propan-2-ylimidazo[4,5-c]pyridine (PubChem CID 97429552) has the molecular formula C22H26N4O2S and a molecular weight of 410.54 g/mol. Its IUPAC name is 2-[(3S)-1-(2,3-dihydro-1H-inden-5-ylsulfonyl)pyrrolidin-3-yl]-3-propan-2-ylimidazo[4,5-c]pyridine.

Molecular Properties

Compound Name2-[(3S)-1-(2,3-dihydro-1H-inden-5-ylsulfonyl)pyrrolidin-3-yl]-3-propan-2-ylimidazo[4,5-c]pyridine
PubChem CID97429552
Molecular FormulaC22H26N4O2S
Molecular Weight410.54 g/mol
Exact Mass410.18
IUPAC Name2-[(3S)-1-(2,3-dihydro-1H-inden-5-ylsulfonyl)pyrrolidin-3-yl]-3-propan-2-ylimidazo[4,5-c]pyridine
SMILESCC(C)n1c([C@H]2CCN(S(=O)(=O)c3ccc4c(c3)CCC4)C2)nc2ccncc21
InChIInChI=1S/C22H26N4O2S/c1-15(2)26-21-13-23-10-8-20(21)24-22(26)18-9-11-25(14-18)29(27,28)19-7-6-16-4-3-5-17(16)12-19/h6-8,10,12-13,15,18H,3-5,9,11,14H2,1-2H3/t18-/m0/s1
InChIKeyTVIYGCDQNIQJGV-SFHVURJKSA-N
XLogP3.68
TPSA68.09 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.54
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[1-(3-chloro-4-methylphenyl)sulfonylpyrrolidin-3-yl]-3-propan-2-ylimidazo[4,5-c]pyridine
CID 83277271
3-ethyl-2-[1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)pyrrolidin-3-yl]imidazo[4,5-c]pyridine
CID 53194802
N-[4-methyl-2-[(3R)-3-(3-propan-2-ylimidazo[4,5-c]pyridin-2-yl)pyrrolidin-1-yl]sulfonylphenyl]acetamide
CID 97429548
3-methyl-2-[1-(3-methylphenyl)sulfonylpyrrolidin-3-yl]imidazo[4,5-c]pyridine
CID 83275870
cyclobutyl-[3-(3-propan-2-ylimidazo[4,5-c]pyridin-2-yl)pyrrolidin-1-yl]methanone
CID 83272928
2-[(3R)-1-(3-chloro-4-methoxyphenyl)sulfonylpyrrolidin-3-yl]-3-methylimidazo[4,5-c]pyridine
CID 95112621
(3R)-N-(3,5-dimethylphenyl)-3-(3-propan-2-ylimidazo[4,5-c]pyridin-2-yl)pyrrolidine-1-carboxamide
CID 97429488
2-(2-fluorophenyl)-1-[3-(3-propan-2-ylimidazo[4,5-c]pyridin-2-yl)pyrrolidin-1-yl]ethanone
CID 83272939
N-(2,5-difluorophenyl)-3-(3-propan-2-ylimidazo[4,5-c]pyridin-2-yl)pyrrolidine-1-carboxamide
CID 83272951
(4-chlorophenyl)-[(3S)-3-(3-propan-2-ylimidazo[4,5-c]pyridin-2-yl)pyrrolidin-1-yl]methanone
CID 97429422
1-(2,3-dihydro-1H-inden-5-ylsulfonyl)-N-methylpyrrolidin-3-amine
CID 115300298
(6-methyl-3-pyridinyl)-[(3S)-3-(3-propan-2-ylimidazo[4,5-c]pyridin-2-yl)pyrrolidin-1-yl]methanone
CID 97429441

Frequently Asked Questions

What is the IUPAC name of 2-[(3S)-1-(2,3-dihydro-1H-inden-5-ylsulfonyl)pyrrolidin-3-yl]-3-propan-2-ylimidazo[4,5-c]pyridine?
The IUPAC name of 2-[(3S)-1-(2,3-dihydro-1H-inden-5-ylsulfonyl)pyrrolidin-3-yl]-3-propan-2-ylimidazo[4,5-c]pyridine (CID 97429552) is 2-[(3S)-1-(2,3-dihydro-1H-inden-5-ylsulfonyl)pyrrolidin-3-yl]-3-propan-2-ylimidazo[4,5-c]pyridine.
What is the SMILES notation for 2-[(3S)-1-(2,3-dihydro-1H-inden-5-ylsulfonyl)pyrrolidin-3-yl]-3-propan-2-ylimidazo[4,5-c]pyridine?
The canonical SMILES for 2-[(3S)-1-(2,3-dihydro-1H-inden-5-ylsulfonyl)pyrrolidin-3-yl]-3-propan-2-ylimidazo[4,5-c]pyridine is CC(C)n1c([C@H]2CCN(S(=O)(=O)c3ccc4c(c3)CCC4)C2)nc2ccncc21.
What is the InChIKey of 2-[(3S)-1-(2,3-dihydro-1H-inden-5-ylsulfonyl)pyrrolidin-3-yl]-3-propan-2-ylimidazo[4,5-c]pyridine?
The InChIKey is TVIYGCDQNIQJGV-SFHVURJKSA-N. The full InChI is InChI=1S/C22H26N4O2S/c1-15(2)26-21-13-23-10-8-20(21)24-22(26)18-9-11-25(14-18)29(27,28)19-7-6-16-4-3-5-17(16)12-19/h6-8,10,12-13,15,18H,3-5,9,11,14H2,1-2H3/t18-/m0/s1.
What are the key properties of 2-[(3S)-1-(2,3-dihydro-1H-inden-5-ylsulfonyl)pyrrolidin-3-yl]-3-propan-2-ylimidazo[4,5-c]pyridine?
2-[(3S)-1-(2,3-dihydro-1H-inden-5-ylsulfonyl)pyrrolidin-3-yl]-3-propan-2-ylimidazo[4,5-c]pyridine has a molecular weight of 410.54 g/mol, XLogP of 3.68, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3S)-1-(2,3-dihydro-1H-inden-5-ylsulfonyl)pyrrolidin-3-yl]-3-propan-2-ylimidazo[4,5-c]pyridine is sourced from PubChem (CID 97429552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).