3-[(1-methylpyrrolidin-3-yl)methyl]-2-(thian-3-yl)imidazo[4,5-b]pyridine

C17H24N4S — CID 117161816

IUPAC3-[(1-methylpyrrolidin-3-yl)methyl]-2-(thian-3-yl)imidazo[4,5-b]pyridine
SMILESCN1CCC(Cn2c(C3CCCSC3)nc3cccnc32)C1
InChIInChI=1S/C17H24N4S/c1-20-8-6-13(10-20)11-21-16(14-4-3-9-22-12-14)19-15-5-2-7-18-17(15)21/h2,5,7,13-14H,3-4,6,8-12H2,1H3
InChIKeyLPDFJGZWLFWASF-UHFFFAOYSA-N
MW316.47 g/mol
LogP2.99
Rot. Bonds3

About 3-[(1-methylpyrrolidin-3-yl)methyl]-2-(thian-3-yl)imidazo[4,5-b]pyridine

3-[(1-methylpyrrolidin-3-yl)methyl]-2-(thian-3-yl)imidazo[4,5-b]pyridine (PubChem CID 117161816) has the molecular formula C17H24N4S and a molecular weight of 316.47 g/mol. Its IUPAC name is 3-[(1-methylpyrrolidin-3-yl)methyl]-2-(thian-3-yl)imidazo[4,5-b]pyridine.

Molecular Properties

Compound Name3-[(1-methylpyrrolidin-3-yl)methyl]-2-(thian-3-yl)imidazo[4,5-b]pyridine
PubChem CID117161816
Molecular FormulaC17H24N4S
Molecular Weight316.47 g/mol
Exact Mass316.17
IUPAC Name3-[(1-methylpyrrolidin-3-yl)methyl]-2-(thian-3-yl)imidazo[4,5-b]pyridine
SMILESCN1CCC(Cn2c(C3CCCSC3)nc3cccnc32)C1
InChIInChI=1S/C17H24N4S/c1-20-8-6-13(10-20)11-21-16(14-4-3-9-22-12-14)19-15-5-2-7-18-17(15)21/h2,5,7,13-14H,3-4,6,8-12H2,1H3
InChIKeyLPDFJGZWLFWASF-UHFFFAOYSA-N
XLogP2.99
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.47
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-(thian-3-yl)-3-(thiolan-2-ylmethyl)imidazo[4,5-b]pyridine
CID 117161914
2-(1-methylpyrrolidin-2-yl)-3-(thian-3-ylmethyl)imidazo[4,5-b]pyridine
CID 117162437
3-[(1-methylpiperidin-3-yl)methyl]-2-(thiolan-2-yl)imidazo[4,5-b]pyridine
CID 117162433
3-propyl-2-(thiolan-3-yl)imidazo[4,5-b]pyridine
CID 117160449
2-(1-methylpyrrolidin-3-yl)-3-(oxolan-3-ylmethyl)imidazo[4,5-b]pyridine
CID 117160142
2-(1-methylpiperidin-3-yl)-3-(oxolan-3-ylmethyl)imidazo[4,5-b]pyridine
CID 117161818
3-[2-(thiolan-3-yl)imidazo[4,5-b]pyridin-3-yl]propan-1-ol
CID 117160041
2-pyrrolidin-2-yl-3-(thian-3-ylmethyl)imidazo[4,5-b]pyridine
CID 117162436
2-(oxan-2-yl)-3-(thian-3-ylmethyl)imidazo[4,5-b]pyridine
CID 117162932
3-(oxan-2-ylmethyl)-2-(thiolan-3-yl)imidazo[4,5-b]pyridine
CID 117160304
3-(oxan-2-yl)-2-(thian-3-yl)imidazo[4,5-b]pyridine
CID 117161893
2-(chloromethyl)-3-[(1-methylpiperidin-3-yl)methyl]imidazo[4,5-b]pyridine
CID 79294526

Frequently Asked Questions

What is the IUPAC name of 3-[(1-methylpyrrolidin-3-yl)methyl]-2-(thian-3-yl)imidazo[4,5-b]pyridine?
The IUPAC name of 3-[(1-methylpyrrolidin-3-yl)methyl]-2-(thian-3-yl)imidazo[4,5-b]pyridine (CID 117161816) is 3-[(1-methylpyrrolidin-3-yl)methyl]-2-(thian-3-yl)imidazo[4,5-b]pyridine.
What is the SMILES notation for 3-[(1-methylpyrrolidin-3-yl)methyl]-2-(thian-3-yl)imidazo[4,5-b]pyridine?
The canonical SMILES for 3-[(1-methylpyrrolidin-3-yl)methyl]-2-(thian-3-yl)imidazo[4,5-b]pyridine is CN1CCC(Cn2c(C3CCCSC3)nc3cccnc32)C1.
What is the InChIKey of 3-[(1-methylpyrrolidin-3-yl)methyl]-2-(thian-3-yl)imidazo[4,5-b]pyridine?
The InChIKey is LPDFJGZWLFWASF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4S/c1-20-8-6-13(10-20)11-21-16(14-4-3-9-22-12-14)19-15-5-2-7-18-17(15)21/h2,5,7,13-14H,3-4,6,8-12H2,1H3.
What are the key properties of 3-[(1-methylpyrrolidin-3-yl)methyl]-2-(thian-3-yl)imidazo[4,5-b]pyridine?
3-[(1-methylpyrrolidin-3-yl)methyl]-2-(thian-3-yl)imidazo[4,5-b]pyridine has a molecular weight of 316.47 g/mol, XLogP of 2.99, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1-methylpyrrolidin-3-yl)methyl]-2-(thian-3-yl)imidazo[4,5-b]pyridine is sourced from PubChem (CID 117161816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).