8-[(3S)-3-(2-propylimidazo[4,5-b]pyridin-3-yl)pyrrolidin-1-yl]sulfonylquinoline

C22H23N5O2S — CID 97416493

IUPAC8-[(3S)-3-(2-propylimidazo[4,5-b]pyridin-3-yl)pyrrolidin-1-yl]sulfonylquinoline
SMILESCCCc1nc2cccnc2n1[C@H]1CCN(S(=O)(=O)c2cccc3cccnc23)C1
InChIInChI=1S/C22H23N5O2S/c1-2-6-20-25-18-9-5-13-24-22(18)27(20)17-11-14-26(15-17)30(28,29)19-10-3-7-16-8-4-12-23-21(16)19/h3-5,7-10,12-13,17H,2,6,11,14-15H2,1H3/t17-/m0/s1
InChIKeyUUIDFKXTVMDWGS-KRWDZBQOSA-N
MW421.53 g/mol
LogP3.57
Rot. Bonds5

About 8-[(3S)-3-(2-propylimidazo[4,5-b]pyridin-3-yl)pyrrolidin-1-yl]sulfonylquinoline

8-[(3S)-3-(2-propylimidazo[4,5-b]pyridin-3-yl)pyrrolidin-1-yl]sulfonylquinoline (PubChem CID 97416493) has the molecular formula C22H23N5O2S and a molecular weight of 421.53 g/mol. Its IUPAC name is 8-[(3S)-3-(2-propylimidazo[4,5-b]pyridin-3-yl)pyrrolidin-1-yl]sulfonylquinoline.

Molecular Properties

Compound Name8-[(3S)-3-(2-propylimidazo[4,5-b]pyridin-3-yl)pyrrolidin-1-yl]sulfonylquinoline
PubChem CID97416493
Molecular FormulaC22H23N5O2S
Molecular Weight421.53 g/mol
Exact Mass421.16
IUPAC Name8-[(3S)-3-(2-propylimidazo[4,5-b]pyridin-3-yl)pyrrolidin-1-yl]sulfonylquinoline
SMILESCCCc1nc2cccnc2n1[C@H]1CCN(S(=O)(=O)c2cccc3cccnc23)C1
InChIInChI=1S/C22H23N5O2S/c1-2-6-20-25-18-9-5-13-24-22(18)27(20)17-11-14-26(15-17)30(28,29)19-10-3-7-16-8-4-12-23-21(16)19/h3-5,7-10,12-13,17H,2,6,11,14-15H2,1H3/t17-/m0/s1
InChIKeyUUIDFKXTVMDWGS-KRWDZBQOSA-N
XLogP3.57
TPSA80.98 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.53
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 8-[(3S)-3-(2-propylimidazo[4,5-b]pyridin-3-yl)pyrrolidin-1-yl]sulfonylquinoline with MolForge

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Related Compounds

8-[(3R)-3-(2-propylimidazo[4,5-b]pyridin-3-yl)pyrrolidin-1-yl]sulfonylquinoline
CID 97416492
3,5-dimethyl-4-[(3S)-3-(2-propylimidazo[4,5-b]pyridin-3-yl)pyrrolidin-1-yl]sulfonyl-1,2-oxazole
CID 95108530
N-[4-[(3S)-3-(2-propylimidazo[4,5-b]pyridin-3-yl)pyrrolidin-1-yl]sulfonylphenyl]acetamide
CID 95108534
N-[4-[3-(2-propylimidazo[4,5-b]pyridin-3-yl)pyrrolidin-1-yl]sulfonylphenyl]acetamide
CID 53186956
2-ethyl-3-[(3R)-1-thiophen-2-ylsulfonylpyrrolidin-3-yl]imidazo[4,5-b]pyridine
CID 97416498
3-[1-(2,4-dimethylphenyl)sulfonylpiperidin-4-yl]-2-ethylimidazo[4,5-b]pyridine
CID 46344280
(3R)-1-quinolin-8-ylsulfonylpyrrolidin-3-amine
CID 119962398
N-methyl-1-(1-quinolin-8-ylsulfonylpyrrolidin-3-yl)methanamine
CID 119977492
2-methyl-3-(1-propylsulfonylpyrrolidin-3-yl)imidazo[4,5-b]pyridine
CID 83275948
8-(4-pyrrol-1-ylpiperidin-1-yl)sulfonylquinoline
CID 2809715
N-[(1-quinolin-8-ylsulfonylpiperidin-4-yl)methyl]ethanamine;hydrochloride
CID 119990230
3-[(3R)-1-quinolin-8-ylsulfonylpyrrolidin-3-yl]-1,3-thiazolidine-2,4-dione
CID 99991977

Frequently Asked Questions

What is the IUPAC name of 8-[(3S)-3-(2-propylimidazo[4,5-b]pyridin-3-yl)pyrrolidin-1-yl]sulfonylquinoline?
The IUPAC name of 8-[(3S)-3-(2-propylimidazo[4,5-b]pyridin-3-yl)pyrrolidin-1-yl]sulfonylquinoline (CID 97416493) is 8-[(3S)-3-(2-propylimidazo[4,5-b]pyridin-3-yl)pyrrolidin-1-yl]sulfonylquinoline.
What is the SMILES notation for 8-[(3S)-3-(2-propylimidazo[4,5-b]pyridin-3-yl)pyrrolidin-1-yl]sulfonylquinoline?
The canonical SMILES for 8-[(3S)-3-(2-propylimidazo[4,5-b]pyridin-3-yl)pyrrolidin-1-yl]sulfonylquinoline is CCCc1nc2cccnc2n1[C@H]1CCN(S(=O)(=O)c2cccc3cccnc23)C1.
What is the InChIKey of 8-[(3S)-3-(2-propylimidazo[4,5-b]pyridin-3-yl)pyrrolidin-1-yl]sulfonylquinoline?
The InChIKey is UUIDFKXTVMDWGS-KRWDZBQOSA-N. The full InChI is InChI=1S/C22H23N5O2S/c1-2-6-20-25-18-9-5-13-24-22(18)27(20)17-11-14-26(15-17)30(28,29)19-10-3-7-16-8-4-12-23-21(16)19/h3-5,7-10,12-13,17H,2,6,11,14-15H2,1H3/t17-/m0/s1.
What are the key properties of 8-[(3S)-3-(2-propylimidazo[4,5-b]pyridin-3-yl)pyrrolidin-1-yl]sulfonylquinoline?
8-[(3S)-3-(2-propylimidazo[4,5-b]pyridin-3-yl)pyrrolidin-1-yl]sulfonylquinoline has a molecular weight of 421.53 g/mol, XLogP of 3.57, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[(3S)-3-(2-propylimidazo[4,5-b]pyridin-3-yl)pyrrolidin-1-yl]sulfonylquinoline is sourced from PubChem (CID 97416493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).