2-[(3S)-1-(1-ethylpyrazol-4-yl)sulfonylpyrrolidin-3-yl]-3-propylimidazo[4,5-b]pyridine

C18H24N6O2S — CID 95110380

IUPAC2-[(3S)-1-(1-ethylpyrazol-4-yl)sulfonylpyrrolidin-3-yl]-3-propylimidazo[4,5-b]pyridine
SMILESCCCn1c([C@H]2CCN(S(=O)(=O)c3cnn(CC)c3)C2)nc2cccnc21
InChIInChI=1S/C18H24N6O2S/c1-3-9-24-17(21-16-6-5-8-19-18(16)24)14-7-10-23(12-14)27(25,26)15-11-20-22(4-2)13-15/h5-6,8,11,13-14H,3-4,7,9-10,12H2,1-2H3/t14-/m0/s1
InChIKeyVYTMGYYRVHAXED-AWEZNQCLSA-N
MW388.50 g/mol
LogP2.24
Rot. Bonds6

About 2-[(3S)-1-(1-ethylpyrazol-4-yl)sulfonylpyrrolidin-3-yl]-3-propylimidazo[4,5-b]pyridine

2-[(3S)-1-(1-ethylpyrazol-4-yl)sulfonylpyrrolidin-3-yl]-3-propylimidazo[4,5-b]pyridine (PubChem CID 95110380) has the molecular formula C18H24N6O2S and a molecular weight of 388.50 g/mol. Its IUPAC name is 2-[(3S)-1-(1-ethylpyrazol-4-yl)sulfonylpyrrolidin-3-yl]-3-propylimidazo[4,5-b]pyridine.

Molecular Properties

Compound Name2-[(3S)-1-(1-ethylpyrazol-4-yl)sulfonylpyrrolidin-3-yl]-3-propylimidazo[4,5-b]pyridine
PubChem CID95110380
Molecular FormulaC18H24N6O2S
Molecular Weight388.50 g/mol
Exact Mass388.17
IUPAC Name2-[(3S)-1-(1-ethylpyrazol-4-yl)sulfonylpyrrolidin-3-yl]-3-propylimidazo[4,5-b]pyridine
SMILESCCCn1c([C@H]2CCN(S(=O)(=O)c3cnn(CC)c3)C2)nc2cccnc21
InChIInChI=1S/C18H24N6O2S/c1-3-9-24-17(21-16-6-5-8-19-18(16)24)14-7-10-23(12-14)27(25,26)15-11-20-22(4-2)13-15/h5-6,8,11,13-14H,3-4,7,9-10,12H2,1-2H3/t14-/m0/s1
InChIKeyVYTMGYYRVHAXED-AWEZNQCLSA-N
XLogP2.24
TPSA85.91 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.50
LogP ≤ 52.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

2-[(3S)-1-(1-ethylpyrazol-4-yl)sulfonylpyrrolidin-3-yl]-5-methyl-1-propylimidazole
CID 164637005
2-[1-(4-propan-2-ylphenyl)sulfonylpyrrolidin-3-yl]-3-propylimidazo[4,5-b]pyridine
CID 53191312
4-[(3R)-3-(3-propylimidazo[4,5-b]pyridin-2-yl)pyrrolidin-1-yl]sulfonyl-2,1,3-benzothiadiazole
CID 97416558
2-[1-(5-bromothiophen-2-yl)sulfonylpyrrolidin-3-yl]-3-ethylimidazo[4,5-b]pyridine
CID 87054382
2-[(3R)-1-(4-chlorophenyl)sulfonylpyrrolidin-3-yl]-3-methylimidazo[4,5-b]pyridine
CID 95110331
3-methyl-2-[(3R)-1-(3-methylphenyl)sulfonylpyrrolidin-3-yl]imidazo[4,5-b]pyridine
CID 95110344
2-[(3R)-1-(4-methoxyphenyl)sulfonylpyrrolidin-3-yl]-3-methylimidazo[4,5-b]pyridine
CID 95110337
4-[(3S)-3-(3-ethylimidazo[4,5-b]pyridin-2-yl)pyrrolidin-1-yl]sulfonyl-2,1,3-benzothiadiazole
CID 95110352
(1-ethylpyrazol-3-yl)-[3-(3-propylimidazo[4,5-b]pyridin-2-yl)pyrrolidin-1-yl]methanone
CID 87054273
2-[1-(3,4-difluorophenyl)sulfonylpyrrolidin-3-yl]-3-methylimidazo[4,5-b]pyridine
CID 87054380
3-[1-(1-ethylpyrazol-4-yl)sulfonylpyrrolidin-3-yl]-5-pyridin-3-yl-1,2,4-oxadiazole
CID 91905638
(3R)-N-[(4-fluorophenyl)methyl]-3-(3-propylimidazo[4,5-b]pyridin-2-yl)pyrrolidine-1-carboxamide
CID 95110299

Frequently Asked Questions

What is the IUPAC name of 2-[(3S)-1-(1-ethylpyrazol-4-yl)sulfonylpyrrolidin-3-yl]-3-propylimidazo[4,5-b]pyridine?
The IUPAC name of 2-[(3S)-1-(1-ethylpyrazol-4-yl)sulfonylpyrrolidin-3-yl]-3-propylimidazo[4,5-b]pyridine (CID 95110380) is 2-[(3S)-1-(1-ethylpyrazol-4-yl)sulfonylpyrrolidin-3-yl]-3-propylimidazo[4,5-b]pyridine.
What is the SMILES notation for 2-[(3S)-1-(1-ethylpyrazol-4-yl)sulfonylpyrrolidin-3-yl]-3-propylimidazo[4,5-b]pyridine?
The canonical SMILES for 2-[(3S)-1-(1-ethylpyrazol-4-yl)sulfonylpyrrolidin-3-yl]-3-propylimidazo[4,5-b]pyridine is CCCn1c([C@H]2CCN(S(=O)(=O)c3cnn(CC)c3)C2)nc2cccnc21.
What is the InChIKey of 2-[(3S)-1-(1-ethylpyrazol-4-yl)sulfonylpyrrolidin-3-yl]-3-propylimidazo[4,5-b]pyridine?
The InChIKey is VYTMGYYRVHAXED-AWEZNQCLSA-N. The full InChI is InChI=1S/C18H24N6O2S/c1-3-9-24-17(21-16-6-5-8-19-18(16)24)14-7-10-23(12-14)27(25,26)15-11-20-22(4-2)13-15/h5-6,8,11,13-14H,3-4,7,9-10,12H2,1-2H3/t14-/m0/s1.
What are the key properties of 2-[(3S)-1-(1-ethylpyrazol-4-yl)sulfonylpyrrolidin-3-yl]-3-propylimidazo[4,5-b]pyridine?
2-[(3S)-1-(1-ethylpyrazol-4-yl)sulfonylpyrrolidin-3-yl]-3-propylimidazo[4,5-b]pyridine has a molecular weight of 388.50 g/mol, XLogP of 2.24, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3S)-1-(1-ethylpyrazol-4-yl)sulfonylpyrrolidin-3-yl]-3-propylimidazo[4,5-b]pyridine is sourced from PubChem (CID 95110380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).