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

C16H23N3S — CID 117165668

IUPAC2-(2-methylpropyl)-3-(thian-4-ylmethyl)imidazo[4,5-b]pyridine
SMILESCC(C)Cc1nc2cccnc2n1CC1CCSCC1
InChIInChI=1S/C16H23N3S/c1-12(2)10-15-18-14-4-3-7-17-16(14)19(15)11-13-5-8-20-9-6-13/h3-4,7,12-13H,5-6,8-11H2,1-2H3
InChIKeyAGYBFDYOBQQHBZ-UHFFFAOYSA-N
MW289.45 g/mol
LogP3.77
Rot. Bonds4

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

2-(2-methylpropyl)-3-(thian-4-ylmethyl)imidazo[4,5-b]pyridine (PubChem CID 117165668) has the molecular formula C16H23N3S and a molecular weight of 289.45 g/mol. Its IUPAC name is 2-(2-methylpropyl)-3-(thian-4-ylmethyl)imidazo[4,5-b]pyridine.

Molecular Properties

Compound Name2-(2-methylpropyl)-3-(thian-4-ylmethyl)imidazo[4,5-b]pyridine
PubChem CID117165668
Molecular FormulaC16H23N3S
Molecular Weight289.45 g/mol
Exact Mass289.16
IUPAC Name2-(2-methylpropyl)-3-(thian-4-ylmethyl)imidazo[4,5-b]pyridine
SMILESCC(C)Cc1nc2cccnc2n1CC1CCSCC1
InChIInChI=1S/C16H23N3S/c1-12(2)10-15-18-14-4-3-7-17-16(14)19(15)11-13-5-8-20-9-6-13/h3-4,7,12-13H,5-6,8-11H2,1-2H3
InChIKeyAGYBFDYOBQQHBZ-UHFFFAOYSA-N
XLogP3.77
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.45
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-methylpropyl)-3-(oxan-4-ylmethyl)imidazo[4,5-b]pyridine
CID 117165662
2-(pyrrolidin-3-ylmethyl)-3-(thian-4-ylmethyl)imidazo[4,5-b]pyridine
CID 117161141
2-(2-methylpropyl)-3-(oxan-2-ylmethyl)imidazo[4,5-b]pyridine
CID 117165795
2-[3-(thiolan-3-ylmethyl)imidazo[4,5-b]pyridin-2-yl]ethanol
CID 117159822
2-(chloromethyl)-3-(cyclopropylmethyl)imidazo[4,5-b]pyridine
CID 69065688
2-[(1-methylpyrrolidin-2-yl)methyl]-3-(thiolan-3-ylmethyl)imidazo[4,5-b]pyridine
CID 117163233
2-(piperidin-2-ylmethyl)-3-(thiolan-3-ylmethyl)imidazo[4,5-b]pyridine
CID 117163643
3-[(4-fluorophenyl)methyl]-2-(2-methylpropyl)imidazo[4,5-b]pyridine
CID 117165937
2-pyridin-2-yl-3-(thiolan-3-ylmethyl)imidazo[4,5-b]pyridine
CID 117164787
2-(2-methylpropyl)-3-(oxan-2-yl)imidazo[4,5-b]pyridine
CID 117165741
2-(2-chloroethyl)-3-(cyclohexylmethyl)imidazo[4,5-b]pyridine
CID 79294577
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-(2-methylpropyl)-3-(thian-4-ylmethyl)imidazo[4,5-b]pyridine?
The IUPAC name of 2-(2-methylpropyl)-3-(thian-4-ylmethyl)imidazo[4,5-b]pyridine (CID 117165668) is 2-(2-methylpropyl)-3-(thian-4-ylmethyl)imidazo[4,5-b]pyridine.
What is the SMILES notation for 2-(2-methylpropyl)-3-(thian-4-ylmethyl)imidazo[4,5-b]pyridine?
The canonical SMILES for 2-(2-methylpropyl)-3-(thian-4-ylmethyl)imidazo[4,5-b]pyridine is CC(C)Cc1nc2cccnc2n1CC1CCSCC1.
What is the InChIKey of 2-(2-methylpropyl)-3-(thian-4-ylmethyl)imidazo[4,5-b]pyridine?
The InChIKey is AGYBFDYOBQQHBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3S/c1-12(2)10-15-18-14-4-3-7-17-16(14)19(15)11-13-5-8-20-9-6-13/h3-4,7,12-13H,5-6,8-11H2,1-2H3.
What are the key properties of 2-(2-methylpropyl)-3-(thian-4-ylmethyl)imidazo[4,5-b]pyridine?
2-(2-methylpropyl)-3-(thian-4-ylmethyl)imidazo[4,5-b]pyridine has a molecular weight of 289.45 g/mol, XLogP of 3.77, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylpropyl)-3-(thian-4-ylmethyl)imidazo[4,5-b]pyridine is sourced from PubChem (CID 117165668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).