3-[5-[[(4R)-4-(5-methylfuran-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methyl]thiophen-3-yl]prop-2-yn-1-ol

C19H19N3O2S — CID 95218319

IUPAC3-[5-[[(4R)-4-(5-methylfuran-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methyl]thiophen-3-yl]prop-2-yn-1-ol
SMILESCc1ccc([C@H]2c3nc[nH]c3CCN2Cc2cc(C#CCO)cs2)o1
InChIInChI=1S/C19H19N3O2S/c1-13-4-5-17(24-13)19-18-16(20-12-21-18)6-7-22(19)10-15-9-14(11-25-15)3-2-8-23/h4-5,9,11-12,19,23H,6-8,10H2,1H3,(H,20,21)/t19-/m0/s1
InChIKeyCJRWKIQGBDZUDO-IBGZPJMESA-N
MW353.45 g/mol
LogP2.86
Rot. Bonds3

About 3-[5-[[(4R)-4-(5-methylfuran-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methyl]thiophen-3-yl]prop-2-yn-1-ol

3-[5-[[(4R)-4-(5-methylfuran-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methyl]thiophen-3-yl]prop-2-yn-1-ol (PubChem CID 95218319) has the molecular formula C19H19N3O2S and a molecular weight of 353.45 g/mol. Its IUPAC name is 3-[5-[[(4R)-4-(5-methylfuran-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methyl]thiophen-3-yl]prop-2-yn-1-ol.

Molecular Properties

Compound Name3-[5-[[(4R)-4-(5-methylfuran-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methyl]thiophen-3-yl]prop-2-yn-1-ol
PubChem CID95218319
Molecular FormulaC19H19N3O2S
Molecular Weight353.45 g/mol
Exact Mass353.12
IUPAC Name3-[5-[[(4R)-4-(5-methylfuran-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methyl]thiophen-3-yl]prop-2-yn-1-ol
SMILESCc1ccc([C@H]2c3nc[nH]c3CCN2Cc2cc(C#CCO)cs2)o1
InChIInChI=1S/C19H19N3O2S/c1-13-4-5-17(24-13)19-18-16(20-12-21-18)6-7-22(19)10-15-9-14(11-25-15)3-2-8-23/h4-5,9,11-12,19,23H,6-8,10H2,1H3,(H,20,21)/t19-/m0/s1
InChIKeyCJRWKIQGBDZUDO-IBGZPJMESA-N
XLogP2.86
TPSA65.29 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.45
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze 3-[5-[[(4R)-4-(5-methylfuran-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methyl]thiophen-3-yl]prop-2-yn-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[5-[[(4R)-4-(5-methylfuran-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methyl]thiophen-3-yl]prop-2-yn-1-ol?
The IUPAC name of 3-[5-[[(4R)-4-(5-methylfuran-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methyl]thiophen-3-yl]prop-2-yn-1-ol (CID 95218319) is 3-[5-[[(4R)-4-(5-methylfuran-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methyl]thiophen-3-yl]prop-2-yn-1-ol.
What is the SMILES notation for 3-[5-[[(4R)-4-(5-methylfuran-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methyl]thiophen-3-yl]prop-2-yn-1-ol?
The canonical SMILES for 3-[5-[[(4R)-4-(5-methylfuran-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methyl]thiophen-3-yl]prop-2-yn-1-ol is Cc1ccc([C@H]2c3nc[nH]c3CCN2Cc2cc(C#CCO)cs2)o1.
What is the InChIKey of 3-[5-[[(4R)-4-(5-methylfuran-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methyl]thiophen-3-yl]prop-2-yn-1-ol?
The InChIKey is CJRWKIQGBDZUDO-IBGZPJMESA-N. The full InChI is InChI=1S/C19H19N3O2S/c1-13-4-5-17(24-13)19-18-16(20-12-21-18)6-7-22(19)10-15-9-14(11-25-15)3-2-8-23/h4-5,9,11-12,19,23H,6-8,10H2,1H3,(H,20,21)/t19-/m0/s1.
What are the key properties of 3-[5-[[(4R)-4-(5-methylfuran-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methyl]thiophen-3-yl]prop-2-yn-1-ol?
3-[5-[[(4R)-4-(5-methylfuran-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methyl]thiophen-3-yl]prop-2-yn-1-ol has a molecular weight of 353.45 g/mol, XLogP of 2.86, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-[[(4R)-4-(5-methylfuran-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methyl]thiophen-3-yl]prop-2-yn-1-ol is sourced from PubChem (CID 95218319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).