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

C15H19N3S — CID 117164087

IUPAC3-cyclopropyl-2-(thian-3-ylmethyl)imidazo[4,5-b]pyridine
SMILESc1cnc2c(c1)nc(CC1CCCSC1)n2C1CC1
InChIInChI=1S/C15H19N3S/c1-4-13-15(16-7-1)18(12-5-6-12)14(17-13)9-11-3-2-8-19-10-11/h1,4,7,11-12H,2-3,5-6,8-10H2
InChIKeyZKUJYBKXDKXQCT-UHFFFAOYSA-N
MW273.40 g/mol
LogP3.45
Rot. Bonds3

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

3-cyclopropyl-2-(thian-3-ylmethyl)imidazo[4,5-b]pyridine (PubChem CID 117164087) has the molecular formula C15H19N3S and a molecular weight of 273.40 g/mol. Its IUPAC name is 3-cyclopropyl-2-(thian-3-ylmethyl)imidazo[4,5-b]pyridine.

Molecular Properties

Compound Name3-cyclopropyl-2-(thian-3-ylmethyl)imidazo[4,5-b]pyridine
PubChem CID117164087
Molecular FormulaC15H19N3S
Molecular Weight273.40 g/mol
Exact Mass273.13
IUPAC Name3-cyclopropyl-2-(thian-3-ylmethyl)imidazo[4,5-b]pyridine
SMILESc1cnc2c(c1)nc(CC1CCCSC1)n2C1CC1
InChIInChI=1S/C15H19N3S/c1-4-13-15(16-7-1)18(12-5-6-12)14(17-13)9-11-3-2-8-19-10-11/h1,4,7,11-12H,2-3,5-6,8-10H2
InChIKeyZKUJYBKXDKXQCT-UHFFFAOYSA-N
XLogP3.45
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.40
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-cyclopentyl-2-(thian-3-ylmethyl)imidazo[4,5-b]pyridine
CID 117164099
3-cyclohexyl-2-(thian-3-ylmethyl)imidazo[4,5-b]pyridine
CID 117164104
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
4-[(3-cyclopropylimidazo[4,5-b]pyridin-2-yl)methyl]thiane 1,1-dioxide
CID 117161703
3-(oxolan-3-yl)-2-(thian-4-ylmethyl)imidazo[4,5-b]pyridine
CID 117161501
3-(3-methoxypropyl)-2-(thian-3-ylmethyl)imidazo[4,5-b]pyridine
CID 117163856
3-cyclopentyl-2-[(1-methylpiperidin-4-yl)methyl]imidazo[4,5-b]pyridine
CID 117161718
2-(pyrrolidin-2-ylmethyl)-3-(thiolan-3-yl)imidazo[4,5-b]pyridine
CID 117163186
3-cyclobutyl-2-(oxolan-3-ylmethyl)imidazo[4,5-b]pyridine
CID 117161425

Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-2-(thian-3-ylmethyl)imidazo[4,5-b]pyridine?
The IUPAC name of 3-cyclopropyl-2-(thian-3-ylmethyl)imidazo[4,5-b]pyridine (CID 117164087) is 3-cyclopropyl-2-(thian-3-ylmethyl)imidazo[4,5-b]pyridine.
What is the SMILES notation for 3-cyclopropyl-2-(thian-3-ylmethyl)imidazo[4,5-b]pyridine?
The canonical SMILES for 3-cyclopropyl-2-(thian-3-ylmethyl)imidazo[4,5-b]pyridine is c1cnc2c(c1)nc(CC1CCCSC1)n2C1CC1.
What is the InChIKey of 3-cyclopropyl-2-(thian-3-ylmethyl)imidazo[4,5-b]pyridine?
The InChIKey is ZKUJYBKXDKXQCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3S/c1-4-13-15(16-7-1)18(12-5-6-12)14(17-13)9-11-3-2-8-19-10-11/h1,4,7,11-12H,2-3,5-6,8-10H2.
What are the key properties of 3-cyclopropyl-2-(thian-3-ylmethyl)imidazo[4,5-b]pyridine?
3-cyclopropyl-2-(thian-3-ylmethyl)imidazo[4,5-b]pyridine has a molecular weight of 273.40 g/mol, XLogP of 3.45, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-2-(thian-3-ylmethyl)imidazo[4,5-b]pyridine is sourced from PubChem (CID 117164087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).