2-(piperidin-2-ylmethyl)-3-(thiolan-3-ylmethyl)imidazo[4,5-b]pyridine

C17H24N4S — CID 117163643

IUPAC2-(piperidin-2-ylmethyl)-3-(thiolan-3-ylmethyl)imidazo[4,5-b]pyridine
SMILESc1cnc2c(c1)nc(CC1CCCCN1)n2CC1CCSC1
InChIInChI=1S/C17H24N4S/c1-2-7-18-14(4-1)10-16-20-15-5-3-8-19-17(15)21(16)11-13-6-9-22-12-13/h3,5,8,13-14,18H,1-2,4,6-7,9-12H2
InChIKeyOLXDVNXZGHHFAI-UHFFFAOYSA-N
MW316.47 g/mol
LogP2.87
Rot. Bonds4

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

2-(piperidin-2-ylmethyl)-3-(thiolan-3-ylmethyl)imidazo[4,5-b]pyridine (PubChem CID 117163643) has the molecular formula C17H24N4S and a molecular weight of 316.47 g/mol. Its IUPAC name is 2-(piperidin-2-ylmethyl)-3-(thiolan-3-ylmethyl)imidazo[4,5-b]pyridine.

Molecular Properties

Compound Name2-(piperidin-2-ylmethyl)-3-(thiolan-3-ylmethyl)imidazo[4,5-b]pyridine
PubChem CID117163643
Molecular FormulaC17H24N4S
Molecular Weight316.47 g/mol
Exact Mass316.17
IUPAC Name2-(piperidin-2-ylmethyl)-3-(thiolan-3-ylmethyl)imidazo[4,5-b]pyridine
SMILESc1cnc2c(c1)nc(CC1CCCCN1)n2CC1CCSC1
InChIInChI=1S/C17H24N4S/c1-2-7-18-14(4-1)10-16-20-15-5-3-8-19-17(15)21(16)11-13-6-9-22-12-13/h3,5,8,13-14,18H,1-2,4,6-7,9-12H2
InChIKeyOLXDVNXZGHHFAI-UHFFFAOYSA-N
XLogP2.87
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.47
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(pyrrolidin-2-ylmethyl)-3-(pyrrolidin-3-ylmethyl)imidazo[4,5-b]pyridine
CID 117163234
3-(piperidin-2-ylmethyl)-2-(piperidin-4-ylmethyl)imidazo[4,5-b]pyridine
CID 117161603
2-(pyrrolidin-2-ylmethyl)-3-(thiolan-3-yl)imidazo[4,5-b]pyridine
CID 117163186
2-[(1-methylpyrrolidin-2-yl)methyl]-3-(thiolan-3-ylmethyl)imidazo[4,5-b]pyridine
CID 117163233
2-[3-(thiolan-3-ylmethyl)imidazo[4,5-b]pyridin-2-yl]ethanol
CID 117159822
2-(pyrrolidin-3-ylmethyl)-3-(thian-4-ylmethyl)imidazo[4,5-b]pyridine
CID 117161141
4-[[2-(pyrrolidin-2-ylmethyl)imidazo[4,5-b]pyridin-3-yl]methyl]phenol
CID 117163423
3-[(2-fluorophenyl)methyl]-2-(pyrrolidin-2-ylmethyl)imidazo[4,5-b]pyridine
CID 117163416
2-pyrrolidin-2-yl-3-(thian-3-ylmethyl)imidazo[4,5-b]pyridine
CID 117162436
2-pyridin-2-yl-3-(thiolan-3-ylmethyl)imidazo[4,5-b]pyridine
CID 117164787
3-(oxan-2-yl)-2-(pyrrolidin-2-ylmethyl)imidazo[4,5-b]pyridine
CID 117163310
2-(furan-2-yl)-3-(thiolan-3-ylmethyl)imidazo[4,5-b]pyridine
CID 117164214

Frequently Asked Questions

What is the IUPAC name of 2-(piperidin-2-ylmethyl)-3-(thiolan-3-ylmethyl)imidazo[4,5-b]pyridine?
The IUPAC name of 2-(piperidin-2-ylmethyl)-3-(thiolan-3-ylmethyl)imidazo[4,5-b]pyridine (CID 117163643) is 2-(piperidin-2-ylmethyl)-3-(thiolan-3-ylmethyl)imidazo[4,5-b]pyridine.
What is the SMILES notation for 2-(piperidin-2-ylmethyl)-3-(thiolan-3-ylmethyl)imidazo[4,5-b]pyridine?
The canonical SMILES for 2-(piperidin-2-ylmethyl)-3-(thiolan-3-ylmethyl)imidazo[4,5-b]pyridine is c1cnc2c(c1)nc(CC1CCCCN1)n2CC1CCSC1.
What is the InChIKey of 2-(piperidin-2-ylmethyl)-3-(thiolan-3-ylmethyl)imidazo[4,5-b]pyridine?
The InChIKey is OLXDVNXZGHHFAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4S/c1-2-7-18-14(4-1)10-16-20-15-5-3-8-19-17(15)21(16)11-13-6-9-22-12-13/h3,5,8,13-14,18H,1-2,4,6-7,9-12H2.
What are the key properties of 2-(piperidin-2-ylmethyl)-3-(thiolan-3-ylmethyl)imidazo[4,5-b]pyridine?
2-(piperidin-2-ylmethyl)-3-(thiolan-3-ylmethyl)imidazo[4,5-b]pyridine has a molecular weight of 316.47 g/mol, XLogP of 2.87, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(piperidin-2-ylmethyl)-3-(thiolan-3-ylmethyl)imidazo[4,5-b]pyridine is sourced from PubChem (CID 117163643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).