3-ethyl-2-[1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)pyrrolidin-3-yl]imidazo[4,5-c]pyridine

C22H26N4O2S — CID 53194802

IUPAC3-ethyl-2-[1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)pyrrolidin-3-yl]imidazo[4,5-c]pyridine
SMILESCCn1c(C2CCN(S(=O)(=O)c3ccc4c(c3)CCCC4)C2)nc2ccncc21
InChIInChI=1S/C22H26N4O2S/c1-2-26-21-14-23-11-9-20(21)24-22(26)18-10-12-25(15-18)29(27,28)19-8-7-16-5-3-4-6-17(16)13-19/h7-9,11,13-14,18H,2-6,10,12,15H2,1H3
InChIKeyNTXTZESTVNTBIF-UHFFFAOYSA-N
MW410.54 g/mol
LogP3.51
Rot. Bonds4

About 3-ethyl-2-[1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)pyrrolidin-3-yl]imidazo[4,5-c]pyridine

3-ethyl-2-[1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)pyrrolidin-3-yl]imidazo[4,5-c]pyridine (PubChem CID 53194802) has the molecular formula C22H26N4O2S and a molecular weight of 410.54 g/mol. Its IUPAC name is 3-ethyl-2-[1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)pyrrolidin-3-yl]imidazo[4,5-c]pyridine.

Molecular Properties

Compound Name3-ethyl-2-[1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)pyrrolidin-3-yl]imidazo[4,5-c]pyridine
PubChem CID53194802
Molecular FormulaC22H26N4O2S
Molecular Weight410.54 g/mol
Exact Mass410.18
IUPAC Name3-ethyl-2-[1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)pyrrolidin-3-yl]imidazo[4,5-c]pyridine
SMILESCCn1c(C2CCN(S(=O)(=O)c3ccc4c(c3)CCCC4)C2)nc2ccncc21
InChIInChI=1S/C22H26N4O2S/c1-2-26-21-14-23-11-9-20(21)24-22(26)18-10-12-25(15-18)29(27,28)19-8-7-16-5-3-4-6-17(16)13-19/h7-9,11,13-14,18H,2-6,10,12,15H2,1H3
InChIKeyNTXTZESTVNTBIF-UHFFFAOYSA-N
XLogP3.51
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 ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(3S)-1-(2,3-dihydro-1H-inden-5-ylsulfonyl)pyrrolidin-3-yl]-3-propan-2-ylimidazo[4,5-c]pyridine
CID 97429552
3-methyl-2-[1-(3-methylphenyl)sulfonylpyrrolidin-3-yl]imidazo[4,5-c]pyridine
CID 83275870
2-[1-(3-chloro-4-methylphenyl)sulfonylpyrrolidin-3-yl]-3-propan-2-ylimidazo[4,5-c]pyridine
CID 83277271
2-[(3R)-1-(3-chloro-4-methoxyphenyl)sulfonylpyrrolidin-3-yl]-3-methylimidazo[4,5-c]pyridine
CID 95112621
1-[(3S)-3-(3-ethylimidazo[4,5-c]pyridin-2-yl)pyrrolidin-1-yl]-3-methylbutan-1-one
CID 97429398
3-(2-methoxyethyl)-2-[(3R)-1-thiophen-2-ylsulfonylpyrrolidin-3-yl]imidazo[4,5-c]pyridine
CID 95112673
3-(chloromethyl)-1-(2,3-dihydro-1H-inden-5-ylsulfonyl)pyrrolidine
CID 63400425
3-(3-ethylimidazo[4,5-c]pyridin-2-yl)-N-[(4-methoxyphenyl)methyl]pyrrolidine-1-carboxamide
CID 83273802
(3R)-1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)pyrrolidin-3-amine;hydrochloride
CID 119962436
1-(2,3-dihydro-1H-inden-5-ylsulfonyl)-N-methylpyrrolidin-3-amine
CID 115300298
3-chloro-4-[1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperidin-3-yl]oxypyridine
CID 122256548
[1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperidin-4-yl]methanamine
CID 28706848

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-2-[1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)pyrrolidin-3-yl]imidazo[4,5-c]pyridine?
The IUPAC name of 3-ethyl-2-[1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)pyrrolidin-3-yl]imidazo[4,5-c]pyridine (CID 53194802) is 3-ethyl-2-[1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)pyrrolidin-3-yl]imidazo[4,5-c]pyridine.
What is the SMILES notation for 3-ethyl-2-[1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)pyrrolidin-3-yl]imidazo[4,5-c]pyridine?
The canonical SMILES for 3-ethyl-2-[1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)pyrrolidin-3-yl]imidazo[4,5-c]pyridine is CCn1c(C2CCN(S(=O)(=O)c3ccc4c(c3)CCCC4)C2)nc2ccncc21.
What is the InChIKey of 3-ethyl-2-[1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)pyrrolidin-3-yl]imidazo[4,5-c]pyridine?
The InChIKey is NTXTZESTVNTBIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O2S/c1-2-26-21-14-23-11-9-20(21)24-22(26)18-10-12-25(15-18)29(27,28)19-8-7-16-5-3-4-6-17(16)13-19/h7-9,11,13-14,18H,2-6,10,12,15H2,1H3.
What are the key properties of 3-ethyl-2-[1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)pyrrolidin-3-yl]imidazo[4,5-c]pyridine?
3-ethyl-2-[1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)pyrrolidin-3-yl]imidazo[4,5-c]pyridine has a molecular weight of 410.54 g/mol, XLogP of 3.51, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-2-[1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)pyrrolidin-3-yl]imidazo[4,5-c]pyridine is sourced from PubChem (CID 53194802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).