3-cyclopentyl-2-(thian-3-ylmethyl)imidazo[4,5-b]pyridine

C17H23N3S — CID 117164099

IUPAC3-cyclopentyl-2-(thian-3-ylmethyl)imidazo[4,5-b]pyridine
SMILESc1cnc2c(c1)nc(CC1CCCSC1)n2C1CCCC1
InChIInChI=1S/C17H23N3S/c1-2-7-14(6-1)20-16(11-13-5-4-10-21-12-13)19-15-8-3-9-18-17(15)20/h3,8-9,13-14H,1-2,4-7,10-12H2
InChIKeyUTWMYVBKBOBLRD-UHFFFAOYSA-N
MW301.46 g/mol
LogP4.23
Rot. Bonds3

About 3-cyclopentyl-2-(thian-3-ylmethyl)imidazo[4,5-b]pyridine

3-cyclopentyl-2-(thian-3-ylmethyl)imidazo[4,5-b]pyridine (PubChem CID 117164099) has the molecular formula C17H23N3S and a molecular weight of 301.46 g/mol. Its IUPAC name is 3-cyclopentyl-2-(thian-3-ylmethyl)imidazo[4,5-b]pyridine.

Molecular Properties

Compound Name3-cyclopentyl-2-(thian-3-ylmethyl)imidazo[4,5-b]pyridine
PubChem CID117164099
Molecular FormulaC17H23N3S
Molecular Weight301.46 g/mol
Exact Mass301.16
IUPAC Name3-cyclopentyl-2-(thian-3-ylmethyl)imidazo[4,5-b]pyridine
SMILESc1cnc2c(c1)nc(CC1CCCSC1)n2C1CCCC1
InChIInChI=1S/C17H23N3S/c1-2-7-14(6-1)20-16(11-13-5-4-10-21-12-13)19-15-8-3-9-18-17(15)20/h3,8-9,13-14H,1-2,4-7,10-12H2
InChIKeyUTWMYVBKBOBLRD-UHFFFAOYSA-N
XLogP4.23
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.46
LogP ≤ 54.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-cyclohexyl-2-(thian-3-ylmethyl)imidazo[4,5-b]pyridine
CID 117164104
3-cyclopropyl-2-(thian-3-ylmethyl)imidazo[4,5-b]pyridine
CID 117164087
3-(oxolan-3-yl)-2-(thian-3-ylmethyl)imidazo[4,5-b]pyridine
CID 117163882
3-(oxan-2-yl)-2-(thian-3-ylmethyl)imidazo[4,5-b]pyridine
CID 117163961
3-pyrrolidin-2-yl-2-(thian-3-ylmethyl)imidazo[4,5-b]pyridine
CID 117163944
2-propyl-3-(thian-3-yl)imidazo[4,5-b]pyridine
CID 117165693
3-cyclopentyl-2-[(1-methylpiperidin-4-yl)methyl]imidazo[4,5-b]pyridine
CID 117161718
3-cyclobutyl-2-(oxolan-3-ylmethyl)imidazo[4,5-b]pyridine
CID 117161425
3-(oxolan-3-yl)-2-(thian-4-ylmethyl)imidazo[4,5-b]pyridine
CID 117161501
(3-cyclohexylimidazo[4,5-b]pyridin-2-yl)methanamine
CID 82474489
3-(3-methoxypropyl)-2-(thian-3-ylmethyl)imidazo[4,5-b]pyridine
CID 117163856
2-(pyrrolidin-2-ylmethyl)-3-(thiolan-3-yl)imidazo[4,5-b]pyridine
CID 117163186

Frequently Asked Questions

What is the IUPAC name of 3-cyclopentyl-2-(thian-3-ylmethyl)imidazo[4,5-b]pyridine?
The IUPAC name of 3-cyclopentyl-2-(thian-3-ylmethyl)imidazo[4,5-b]pyridine (CID 117164099) is 3-cyclopentyl-2-(thian-3-ylmethyl)imidazo[4,5-b]pyridine.
What is the SMILES notation for 3-cyclopentyl-2-(thian-3-ylmethyl)imidazo[4,5-b]pyridine?
The canonical SMILES for 3-cyclopentyl-2-(thian-3-ylmethyl)imidazo[4,5-b]pyridine is c1cnc2c(c1)nc(CC1CCCSC1)n2C1CCCC1.
What is the InChIKey of 3-cyclopentyl-2-(thian-3-ylmethyl)imidazo[4,5-b]pyridine?
The InChIKey is UTWMYVBKBOBLRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3S/c1-2-7-14(6-1)20-16(11-13-5-4-10-21-12-13)19-15-8-3-9-18-17(15)20/h3,8-9,13-14H,1-2,4-7,10-12H2.
What are the key properties of 3-cyclopentyl-2-(thian-3-ylmethyl)imidazo[4,5-b]pyridine?
3-cyclopentyl-2-(thian-3-ylmethyl)imidazo[4,5-b]pyridine has a molecular weight of 301.46 g/mol, XLogP of 4.23, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopentyl-2-(thian-3-ylmethyl)imidazo[4,5-b]pyridine is sourced from PubChem (CID 117164099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).