3-(5-methylthiophen-2-yl)-2-piperidin-4-ylimidazo[4,5-b]pyridine

C16H18N4S — CID 117160861

IUPAC3-(5-methylthiophen-2-yl)-2-piperidin-4-ylimidazo[4,5-b]pyridine
SMILESCc1ccc(-n2c(C3CCNCC3)nc3cccnc32)s1
InChIInChI=1S/C16H18N4S/c1-11-4-5-14(21-11)20-15(12-6-9-17-10-7-12)19-13-3-2-8-18-16(13)20/h2-5,8,12,17H,6-7,9-10H2,1H3
InChIKeyBQPYZSZGMJNRLQ-UHFFFAOYSA-N
MW298.41 g/mol
LogP3.26
Rot. Bonds2

About 3-(5-methylthiophen-2-yl)-2-piperidin-4-ylimidazo[4,5-b]pyridine

3-(5-methylthiophen-2-yl)-2-piperidin-4-ylimidazo[4,5-b]pyridine (PubChem CID 117160861) has the molecular formula C16H18N4S and a molecular weight of 298.41 g/mol. Its IUPAC name is 3-(5-methylthiophen-2-yl)-2-piperidin-4-ylimidazo[4,5-b]pyridine.

Molecular Properties

Compound Name3-(5-methylthiophen-2-yl)-2-piperidin-4-ylimidazo[4,5-b]pyridine
PubChem CID117160861
Molecular FormulaC16H18N4S
Molecular Weight298.41 g/mol
Exact Mass298.13
IUPAC Name3-(5-methylthiophen-2-yl)-2-piperidin-4-ylimidazo[4,5-b]pyridine
SMILESCc1ccc(-n2c(C3CCNCC3)nc3cccnc32)s1
InChIInChI=1S/C16H18N4S/c1-11-4-5-14(21-11)20-15(12-6-9-17-10-7-12)19-13-3-2-8-18-16(13)20/h2-5,8,12,17H,6-7,9-10H2,1H3
InChIKeyBQPYZSZGMJNRLQ-UHFFFAOYSA-N
XLogP3.26
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.41
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(5-methylthiophen-2-yl)-2-piperidin-4-ylimidazo[4,5-b]pyridine?
The IUPAC name of 3-(5-methylthiophen-2-yl)-2-piperidin-4-ylimidazo[4,5-b]pyridine (CID 117160861) is 3-(5-methylthiophen-2-yl)-2-piperidin-4-ylimidazo[4,5-b]pyridine.
What is the SMILES notation for 3-(5-methylthiophen-2-yl)-2-piperidin-4-ylimidazo[4,5-b]pyridine?
The canonical SMILES for 3-(5-methylthiophen-2-yl)-2-piperidin-4-ylimidazo[4,5-b]pyridine is Cc1ccc(-n2c(C3CCNCC3)nc3cccnc32)s1.
What is the InChIKey of 3-(5-methylthiophen-2-yl)-2-piperidin-4-ylimidazo[4,5-b]pyridine?
The InChIKey is BQPYZSZGMJNRLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4S/c1-11-4-5-14(21-11)20-15(12-6-9-17-10-7-12)19-13-3-2-8-18-16(13)20/h2-5,8,12,17H,6-7,9-10H2,1H3.
What are the key properties of 3-(5-methylthiophen-2-yl)-2-piperidin-4-ylimidazo[4,5-b]pyridine?
3-(5-methylthiophen-2-yl)-2-piperidin-4-ylimidazo[4,5-b]pyridine has a molecular weight of 298.41 g/mol, XLogP of 3.26, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-methylthiophen-2-yl)-2-piperidin-4-ylimidazo[4,5-b]pyridine is sourced from PubChem (CID 117160861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).