N-[4-[(3S)-3-(2-propylimidazo[4,5-b]pyridin-3-yl)pyrrolidin-1-yl]sulfonylphenyl]acetamide

C21H25N5O3S — CID 95108534

IUPACN-[4-[(3S)-3-(2-propylimidazo[4,5-b]pyridin-3-yl)pyrrolidin-1-yl]sulfonylphenyl]acetamide
SMILESCCCc1nc2cccnc2n1[C@H]1CCN(S(=O)(=O)c2ccc(NC(C)=O)cc2)C1
InChIInChI=1S/C21H25N5O3S/c1-3-5-20-24-19-6-4-12-22-21(19)26(20)17-11-13-25(14-17)30(28,29)18-9-7-16(8-10-18)23-15(2)27/h4,6-10,12,17H,3,5,11,13-14H2,1-2H3,(H,23,27)/t17-/m0/s1
InChIKeyOXXLBVKEAMCEGT-KRWDZBQOSA-N
MW427.53 g/mol
LogP2.98
Rot. Bonds6

About N-[4-[(3S)-3-(2-propylimidazo[4,5-b]pyridin-3-yl)pyrrolidin-1-yl]sulfonylphenyl]acetamide

N-[4-[(3S)-3-(2-propylimidazo[4,5-b]pyridin-3-yl)pyrrolidin-1-yl]sulfonylphenyl]acetamide (PubChem CID 95108534) has the molecular formula C21H25N5O3S and a molecular weight of 427.53 g/mol. Its IUPAC name is N-[4-[(3S)-3-(2-propylimidazo[4,5-b]pyridin-3-yl)pyrrolidin-1-yl]sulfonylphenyl]acetamide.

Molecular Properties

Compound NameN-[4-[(3S)-3-(2-propylimidazo[4,5-b]pyridin-3-yl)pyrrolidin-1-yl]sulfonylphenyl]acetamide
PubChem CID95108534
Molecular FormulaC21H25N5O3S
Molecular Weight427.53 g/mol
Exact Mass427.17
IUPAC NameN-[4-[(3S)-3-(2-propylimidazo[4,5-b]pyridin-3-yl)pyrrolidin-1-yl]sulfonylphenyl]acetamide
SMILESCCCc1nc2cccnc2n1[C@H]1CCN(S(=O)(=O)c2ccc(NC(C)=O)cc2)C1
InChIInChI=1S/C21H25N5O3S/c1-3-5-20-24-19-6-4-12-22-21(19)26(20)17-11-13-25(14-17)30(28,29)18-9-7-16(8-10-18)23-15(2)27/h4,6-10,12,17H,3,5,11,13-14H2,1-2H3,(H,23,27)/t17-/m0/s1
InChIKeyOXXLBVKEAMCEGT-KRWDZBQOSA-N
XLogP2.98
TPSA97.19 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.53
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-[3-(2-propylimidazo[4,5-b]pyridin-3-yl)pyrrolidin-1-yl]sulfonylphenyl]acetamide
CID 53186956
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-(2,3-dihydro-1H-inden-5-yl)-3-(2-propylimidazo[4,5-b]pyridin-3-yl)pyrrolidine-1-carboxamide
CID 53186899
2-ethyl-3-[(3R)-1-thiophen-2-ylsulfonylpyrrolidin-3-yl]imidazo[4,5-b]pyridine
CID 97416498
2-phenoxy-1-[(3R)-3-(2-propylimidazo[4,5-b]pyridin-3-yl)pyrrolidin-1-yl]ethanone
CID 95108195
1-[3-(2-propylimidazo[4,5-b]pyridin-3-yl)pyrrolidin-1-yl]-2-thiophen-3-ylethanone
CID 53186771
3-[1-(4-chlorophenyl)sulfonylpiperidin-4-yl]-2-(2-methylpropyl)imidazo[4,5-b]pyridine
CID 46286878
(2,5-dimethylphenyl)-[(3R)-3-(2-propylimidazo[4,5-b]pyridin-3-yl)pyrrolidin-1-yl]methanone
CID 95108153
2-(3-fluorophenyl)-1-[(3S)-3-(2-propylimidazo[4,5-b]pyridin-3-yl)pyrrolidin-1-yl]ethanone
CID 95108186
ethyl 4-[[(3R)-3-(2-ethylimidazo[4,5-b]pyridin-3-yl)pyrrolidine-1-carbonyl]amino]benzoate
CID 95108453
3-[1-(3,4-dimethoxyphenyl)sulfonylpiperidin-4-yl]-2-ethylimidazo[4,5-b]pyridine
CID 46344283

Frequently Asked Questions

What is the IUPAC name of N-[4-[(3S)-3-(2-propylimidazo[4,5-b]pyridin-3-yl)pyrrolidin-1-yl]sulfonylphenyl]acetamide?
The IUPAC name of N-[4-[(3S)-3-(2-propylimidazo[4,5-b]pyridin-3-yl)pyrrolidin-1-yl]sulfonylphenyl]acetamide (CID 95108534) is N-[4-[(3S)-3-(2-propylimidazo[4,5-b]pyridin-3-yl)pyrrolidin-1-yl]sulfonylphenyl]acetamide.
What is the SMILES notation for N-[4-[(3S)-3-(2-propylimidazo[4,5-b]pyridin-3-yl)pyrrolidin-1-yl]sulfonylphenyl]acetamide?
The canonical SMILES for N-[4-[(3S)-3-(2-propylimidazo[4,5-b]pyridin-3-yl)pyrrolidin-1-yl]sulfonylphenyl]acetamide is CCCc1nc2cccnc2n1[C@H]1CCN(S(=O)(=O)c2ccc(NC(C)=O)cc2)C1.
What is the InChIKey of N-[4-[(3S)-3-(2-propylimidazo[4,5-b]pyridin-3-yl)pyrrolidin-1-yl]sulfonylphenyl]acetamide?
The InChIKey is OXXLBVKEAMCEGT-KRWDZBQOSA-N. The full InChI is InChI=1S/C21H25N5O3S/c1-3-5-20-24-19-6-4-12-22-21(19)26(20)17-11-13-25(14-17)30(28,29)18-9-7-16(8-10-18)23-15(2)27/h4,6-10,12,17H,3,5,11,13-14H2,1-2H3,(H,23,27)/t17-/m0/s1.
What are the key properties of N-[4-[(3S)-3-(2-propylimidazo[4,5-b]pyridin-3-yl)pyrrolidin-1-yl]sulfonylphenyl]acetamide?
N-[4-[(3S)-3-(2-propylimidazo[4,5-b]pyridin-3-yl)pyrrolidin-1-yl]sulfonylphenyl]acetamide has a molecular weight of 427.53 g/mol, XLogP of 2.98, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(3S)-3-(2-propylimidazo[4,5-b]pyridin-3-yl)pyrrolidin-1-yl]sulfonylphenyl]acetamide is sourced from PubChem (CID 95108534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).