2-propyl-3-[1-(thiolan-3-yl)piperidin-4-yl]imidazo[4,5-b]pyridine

C18H26N4S — CID 118758723

IUPAC2-propyl-3-[1-(thiolan-3-yl)piperidin-4-yl]imidazo[4,5-b]pyridine
SMILESCCCc1nc2cccnc2n1C1CCN(C2CCSC2)CC1
InChIInChI=1S/C18H26N4S/c1-2-4-17-20-16-5-3-9-19-18(16)22(17)14-6-10-21(11-7-14)15-8-12-23-13-15/h3,5,9,14-15H,2,4,6-8,10-13H2,1H3
InChIKeyHGXWDVHQEGCAIV-UHFFFAOYSA-N
MW330.50 g/mol
LogP3.53
Rot. Bonds4

About 2-propyl-3-[1-(thiolan-3-yl)piperidin-4-yl]imidazo[4,5-b]pyridine

2-propyl-3-[1-(thiolan-3-yl)piperidin-4-yl]imidazo[4,5-b]pyridine (PubChem CID 118758723) has the molecular formula C18H26N4S and a molecular weight of 330.50 g/mol. Its IUPAC name is 2-propyl-3-[1-(thiolan-3-yl)piperidin-4-yl]imidazo[4,5-b]pyridine.

Molecular Properties

Compound Name2-propyl-3-[1-(thiolan-3-yl)piperidin-4-yl]imidazo[4,5-b]pyridine
PubChem CID118758723
Molecular FormulaC18H26N4S
Molecular Weight330.50 g/mol
Exact Mass330.19
IUPAC Name2-propyl-3-[1-(thiolan-3-yl)piperidin-4-yl]imidazo[4,5-b]pyridine
SMILESCCCc1nc2cccnc2n1C1CCN(C2CCSC2)CC1
InChIInChI=1S/C18H26N4S/c1-2-4-17-20-16-5-3-9-19-18(16)22(17)14-6-10-21(11-7-14)15-8-12-23-13-15/h3,5,9,14-15H,2,4,6-8,10-13H2,1H3
InChIKeyHGXWDVHQEGCAIV-UHFFFAOYSA-N
XLogP3.53
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.50
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-propyl-3-(thian-3-yl)imidazo[4,5-b]pyridine
CID 117165693
2-(2,2-dimethylpropyl)-3-(thiolan-3-yl)imidazo[4,5-b]pyridine
CID 117165594
3-cyclopropyl-2-(thian-3-ylmethyl)imidazo[4,5-b]pyridine
CID 117164087
2-(pyrrolidin-2-ylmethyl)-3-(thiolan-3-yl)imidazo[4,5-b]pyridine
CID 117163186
3-cyclopentyl-2-(thian-3-ylmethyl)imidazo[4,5-b]pyridine
CID 117164099
3-(1-methylpiperidin-2-yl)-2-propylimidazo[4,5-b]pyridine
CID 117165753
2-propyl-3-[1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]imidazo[4,5-b]pyridine
CID 42276683
3-cyclohexyl-2-(thian-3-ylmethyl)imidazo[4,5-b]pyridine
CID 117164104
4-(2-ethylimidazo[4,5-b]pyridin-3-yl)thiane 1,1-dioxide
CID 117165614
1-[3-(2-propylimidazo[4,5-b]pyridin-3-yl)pyrrolidin-1-yl]-2-thiophen-3-ylethanone
CID 53186771
[(4S)-2,2-dimethyloxan-4-yl]-[4-(2-propylimidazo[4,5-b]pyridin-3-yl)piperidin-1-yl]methanone
CID 42483716
2-phenoxy-1-[(3R)-3-(2-propylimidazo[4,5-b]pyridin-3-yl)pyrrolidin-1-yl]ethanone
CID 95108195

Frequently Asked Questions

What is the IUPAC name of 2-propyl-3-[1-(thiolan-3-yl)piperidin-4-yl]imidazo[4,5-b]pyridine?
The IUPAC name of 2-propyl-3-[1-(thiolan-3-yl)piperidin-4-yl]imidazo[4,5-b]pyridine (CID 118758723) is 2-propyl-3-[1-(thiolan-3-yl)piperidin-4-yl]imidazo[4,5-b]pyridine.
What is the SMILES notation for 2-propyl-3-[1-(thiolan-3-yl)piperidin-4-yl]imidazo[4,5-b]pyridine?
The canonical SMILES for 2-propyl-3-[1-(thiolan-3-yl)piperidin-4-yl]imidazo[4,5-b]pyridine is CCCc1nc2cccnc2n1C1CCN(C2CCSC2)CC1.
What is the InChIKey of 2-propyl-3-[1-(thiolan-3-yl)piperidin-4-yl]imidazo[4,5-b]pyridine?
The InChIKey is HGXWDVHQEGCAIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N4S/c1-2-4-17-20-16-5-3-9-19-18(16)22(17)14-6-10-21(11-7-14)15-8-12-23-13-15/h3,5,9,14-15H,2,4,6-8,10-13H2,1H3.
What are the key properties of 2-propyl-3-[1-(thiolan-3-yl)piperidin-4-yl]imidazo[4,5-b]pyridine?
2-propyl-3-[1-(thiolan-3-yl)piperidin-4-yl]imidazo[4,5-b]pyridine has a molecular weight of 330.50 g/mol, XLogP of 3.53, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propyl-3-[1-(thiolan-3-yl)piperidin-4-yl]imidazo[4,5-b]pyridine is sourced from PubChem (CID 118758723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).