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

C22H28N4O2S — CID 53191312

IUPAC2-[1-(4-propan-2-ylphenyl)sulfonylpyrrolidin-3-yl]-3-propylimidazo[4,5-b]pyridine
SMILESCCCn1c(C2CCN(S(=O)(=O)c3ccc(C(C)C)cc3)C2)nc2cccnc21
InChIInChI=1S/C22H28N4O2S/c1-4-13-26-21(24-20-6-5-12-23-22(20)26)18-11-14-25(15-18)29(27,28)19-9-7-17(8-10-19)16(2)3/h5-10,12,16,18H,4,11,13-15H2,1-3H3
InChIKeyQWYPKVDHQDPFLH-UHFFFAOYSA-N
MW412.56 g/mol
LogP4.14
Rot. Bonds6

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

2-[1-(4-propan-2-ylphenyl)sulfonylpyrrolidin-3-yl]-3-propylimidazo[4,5-b]pyridine (PubChem CID 53191312) has the molecular formula C22H28N4O2S and a molecular weight of 412.56 g/mol. Its IUPAC name is 2-[1-(4-propan-2-ylphenyl)sulfonylpyrrolidin-3-yl]-3-propylimidazo[4,5-b]pyridine.

Molecular Properties

Compound Name2-[1-(4-propan-2-ylphenyl)sulfonylpyrrolidin-3-yl]-3-propylimidazo[4,5-b]pyridine
PubChem CID53191312
Molecular FormulaC22H28N4O2S
Molecular Weight412.56 g/mol
Exact Mass412.19
IUPAC Name2-[1-(4-propan-2-ylphenyl)sulfonylpyrrolidin-3-yl]-3-propylimidazo[4,5-b]pyridine
SMILESCCCn1c(C2CCN(S(=O)(=O)c3ccc(C(C)C)cc3)C2)nc2cccnc21
InChIInChI=1S/C22H28N4O2S/c1-4-13-26-21(24-20-6-5-12-23-22(20)26)18-11-14-25(15-18)29(27,28)19-9-7-17(8-10-19)16(2)3/h5-10,12,16,18H,4,11,13-15H2,1-3H3
InChIKeyQWYPKVDHQDPFLH-UHFFFAOYSA-N
XLogP4.14
TPSA68.09 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.56
LogP ≤ 54.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(3S)-1-(1-ethylpyrazol-4-yl)sulfonylpyrrolidin-3-yl]-3-propylimidazo[4,5-b]pyridine
CID 95110380
2-[(3R)-1-(4-chlorophenyl)sulfonylpyrrolidin-3-yl]-3-methylimidazo[4,5-b]pyridine
CID 95110331
4-[(3R)-3-(3-propylimidazo[4,5-b]pyridin-2-yl)pyrrolidin-1-yl]sulfonyl-2,1,3-benzothiadiazole
CID 97416558
2-[(3R)-1-(4-methoxyphenyl)sulfonylpyrrolidin-3-yl]-3-methylimidazo[4,5-b]pyridine
CID 95110337
2-[1-(3,4-difluorophenyl)sulfonylpyrrolidin-3-yl]-3-methylimidazo[4,5-b]pyridine
CID 87054380
3-methyl-2-[(3R)-1-(3-methylphenyl)sulfonylpyrrolidin-3-yl]imidazo[4,5-b]pyridine
CID 95110344
2-[1-(5-bromothiophen-2-yl)sulfonylpyrrolidin-3-yl]-3-ethylimidazo[4,5-b]pyridine
CID 87054382
4-[(3S)-3-(3-ethylimidazo[4,5-b]pyridin-2-yl)pyrrolidin-1-yl]sulfonyl-2,1,3-benzothiadiazole
CID 95110352
2-(1-benzylsulfonylpyrrolidin-3-yl)-3-(2-methoxyethyl)imidazo[4,5-b]pyridine
CID 87054401
3-propyl-2-(thiolan-3-yl)imidazo[4,5-b]pyridine
CID 117160449
2-[1-[(2-ethoxyphenyl)methyl]pyrrolidin-3-yl]-3-propylimidazo[4,5-b]pyridine
CID 53191346
3-propyl-2-[1-(thiophen-2-ylmethyl)pyrrolidin-3-yl]imidazo[4,5-b]pyridine
CID 53191350

Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-propan-2-ylphenyl)sulfonylpyrrolidin-3-yl]-3-propylimidazo[4,5-b]pyridine?
The IUPAC name of 2-[1-(4-propan-2-ylphenyl)sulfonylpyrrolidin-3-yl]-3-propylimidazo[4,5-b]pyridine (CID 53191312) is 2-[1-(4-propan-2-ylphenyl)sulfonylpyrrolidin-3-yl]-3-propylimidazo[4,5-b]pyridine.
What is the SMILES notation for 2-[1-(4-propan-2-ylphenyl)sulfonylpyrrolidin-3-yl]-3-propylimidazo[4,5-b]pyridine?
The canonical SMILES for 2-[1-(4-propan-2-ylphenyl)sulfonylpyrrolidin-3-yl]-3-propylimidazo[4,5-b]pyridine is CCCn1c(C2CCN(S(=O)(=O)c3ccc(C(C)C)cc3)C2)nc2cccnc21.
What is the InChIKey of 2-[1-(4-propan-2-ylphenyl)sulfonylpyrrolidin-3-yl]-3-propylimidazo[4,5-b]pyridine?
The InChIKey is QWYPKVDHQDPFLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N4O2S/c1-4-13-26-21(24-20-6-5-12-23-22(20)26)18-11-14-25(15-18)29(27,28)19-9-7-17(8-10-19)16(2)3/h5-10,12,16,18H,4,11,13-15H2,1-3H3.
What are the key properties of 2-[1-(4-propan-2-ylphenyl)sulfonylpyrrolidin-3-yl]-3-propylimidazo[4,5-b]pyridine?
2-[1-(4-propan-2-ylphenyl)sulfonylpyrrolidin-3-yl]-3-propylimidazo[4,5-b]pyridine has a molecular weight of 412.56 g/mol, XLogP of 4.14, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-propan-2-ylphenyl)sulfonylpyrrolidin-3-yl]-3-propylimidazo[4,5-b]pyridine is sourced from PubChem (CID 53191312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).