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

C17H18N4S — CID 117161736

IUPAC3-pyridin-4-yl-2-(thian-4-ylmethyl)imidazo[4,5-b]pyridine
SMILESc1cnc2c(c1)nc(CC1CCSCC1)n2-c1ccncc1
InChIInChI=1S/C17H18N4S/c1-2-15-17(19-7-1)21(14-3-8-18-9-4-14)16(20-15)12-13-5-10-22-11-6-13/h1-4,7-9,13H,5-6,10-12H2
InChIKeySWRZCWPNEWPLNS-UHFFFAOYSA-N
MW310.43 g/mol
LogP3.50
Rot. Bonds3

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

3-pyridin-4-yl-2-(thian-4-ylmethyl)imidazo[4,5-b]pyridine (PubChem CID 117161736) has the molecular formula C17H18N4S and a molecular weight of 310.43 g/mol. Its IUPAC name is 3-pyridin-4-yl-2-(thian-4-ylmethyl)imidazo[4,5-b]pyridine.

Molecular Properties

Compound Name3-pyridin-4-yl-2-(thian-4-ylmethyl)imidazo[4,5-b]pyridine
PubChem CID117161736
Molecular FormulaC17H18N4S
Molecular Weight310.43 g/mol
Exact Mass310.13
IUPAC Name3-pyridin-4-yl-2-(thian-4-ylmethyl)imidazo[4,5-b]pyridine
SMILESc1cnc2c(c1)nc(CC1CCSCC1)n2-c1ccncc1
InChIInChI=1S/C17H18N4S/c1-2-15-17(19-7-1)21(14-3-8-18-9-4-14)16(20-15)12-13-5-10-22-11-6-13/h1-4,7-9,13H,5-6,10-12H2
InChIKeySWRZCWPNEWPLNS-UHFFFAOYSA-N
XLogP3.50
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.43
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-pyridin-4-yl-2-(thian-2-ylmethyl)imidazo[4,5-b]pyridine
CID 117163850
2-[2-(thiolan-3-ylmethyl)imidazo[4,5-b]pyridin-3-yl]phenol
CID 117161394
3-(4-fluorophenyl)-2-(oxan-4-ylmethyl)imidazo[4,5-b]pyridine
CID 117161697
3-(4-methylphenyl)-2-(oxan-4-ylmethyl)imidazo[4,5-b]pyridine
CID 117161696
3-(oxolan-3-yl)-2-(thian-4-ylmethyl)imidazo[4,5-b]pyridine
CID 117161501
2-(2-methylpropyl)-3-pyridin-4-ylimidazo[4,5-b]pyridine
CID 117166087
2-[(2-methylphenyl)methyl]-3-pyridin-4-ylimidazo[4,5-b]pyridine
CID 117165359
3-(3-methylphenyl)-2-(piperidin-4-ylmethyl)imidazo[4,5-b]pyridine
CID 117161687
2-(pyrrolidin-3-ylmethyl)-3-(thian-4-ylmethyl)imidazo[4,5-b]pyridine
CID 117161141
3-(4-methylphenyl)-2-(piperidin-3-ylmethyl)imidazo[4,5-b]pyridine
CID 117164082
3-[2-(thiolan-3-ylmethyl)imidazo[4,5-b]pyridin-3-yl]propan-1-ol
CID 117161041
N,N-dimethyl-2-[2-(thiolan-3-ylmethyl)imidazo[4,5-b]pyridin-3-yl]ethanamine
CID 117161453

Frequently Asked Questions

What is the IUPAC name of 3-pyridin-4-yl-2-(thian-4-ylmethyl)imidazo[4,5-b]pyridine?
The IUPAC name of 3-pyridin-4-yl-2-(thian-4-ylmethyl)imidazo[4,5-b]pyridine (CID 117161736) is 3-pyridin-4-yl-2-(thian-4-ylmethyl)imidazo[4,5-b]pyridine.
What is the SMILES notation for 3-pyridin-4-yl-2-(thian-4-ylmethyl)imidazo[4,5-b]pyridine?
The canonical SMILES for 3-pyridin-4-yl-2-(thian-4-ylmethyl)imidazo[4,5-b]pyridine is c1cnc2c(c1)nc(CC1CCSCC1)n2-c1ccncc1.
What is the InChIKey of 3-pyridin-4-yl-2-(thian-4-ylmethyl)imidazo[4,5-b]pyridine?
The InChIKey is SWRZCWPNEWPLNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4S/c1-2-15-17(19-7-1)21(14-3-8-18-9-4-14)16(20-15)12-13-5-10-22-11-6-13/h1-4,7-9,13H,5-6,10-12H2.
What are the key properties of 3-pyridin-4-yl-2-(thian-4-ylmethyl)imidazo[4,5-b]pyridine?
3-pyridin-4-yl-2-(thian-4-ylmethyl)imidazo[4,5-b]pyridine has a molecular weight of 310.43 g/mol, XLogP of 3.50, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-pyridin-4-yl-2-(thian-4-ylmethyl)imidazo[4,5-b]pyridine is sourced from PubChem (CID 117161736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).