3-[(6-methoxy-3-pyridinyl)methyl]-4-thiophen-3-yl-2,3-dihydro-1H-pyrrolo[2,3-b]pyridine

C18H17N3OS — CID 71026287

IUPAC3-[(6-methoxy-3-pyridinyl)methyl]-4-thiophen-3-yl-2,3-dihydro-1H-pyrrolo[2,3-b]pyridine
SMILESCOc1ccc(CC2CNc3nccc(-c4ccsc4)c32)cn1
InChIInChI=1S/C18H17N3OS/c1-22-16-3-2-12(9-20-16)8-14-10-21-18-17(14)15(4-6-19-18)13-5-7-23-11-13/h2-7,9,11,14H,8,10H2,1H3,(H,19,21)
InChIKeyYXFKFNICVQBBPQ-UHFFFAOYSA-N
MW323.42 g/mol
LogP3.97
Rot. Bonds4

About 3-[(6-methoxy-3-pyridinyl)methyl]-4-thiophen-3-yl-2,3-dihydro-1H-pyrrolo[2,3-b]pyridine

3-[(6-methoxy-3-pyridinyl)methyl]-4-thiophen-3-yl-2,3-dihydro-1H-pyrrolo[2,3-b]pyridine (PubChem CID 71026287) has the molecular formula C18H17N3OS and a molecular weight of 323.42 g/mol. Its IUPAC name is 3-[(6-methoxy-3-pyridinyl)methyl]-4-thiophen-3-yl-2,3-dihydro-1H-pyrrolo[2,3-b]pyridine.

Molecular Properties

Compound Name3-[(6-methoxy-3-pyridinyl)methyl]-4-thiophen-3-yl-2,3-dihydro-1H-pyrrolo[2,3-b]pyridine
PubChem CID71026287
Molecular FormulaC18H17N3OS
Molecular Weight323.42 g/mol
Exact Mass323.11
IUPAC Name3-[(6-methoxy-3-pyridinyl)methyl]-4-thiophen-3-yl-2,3-dihydro-1H-pyrrolo[2,3-b]pyridine
SMILESCOc1ccc(CC2CNc3nccc(-c4ccsc4)c32)cn1
InChIInChI=1S/C18H17N3OS/c1-22-16-3-2-12(9-20-16)8-14-10-21-18-17(14)15(4-6-19-18)13-5-7-23-11-13/h2-7,9,11,14H,8,10H2,1H3,(H,19,21)
InChIKeyYXFKFNICVQBBPQ-UHFFFAOYSA-N
XLogP3.97
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.42
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[(6-methoxy-3-pyridinyl)methyl]-4-thiophen-3-yl-2,3-dihydro-1H-pyrrolo[2,3-b]pyridine?
The IUPAC name of 3-[(6-methoxy-3-pyridinyl)methyl]-4-thiophen-3-yl-2,3-dihydro-1H-pyrrolo[2,3-b]pyridine (CID 71026287) is 3-[(6-methoxy-3-pyridinyl)methyl]-4-thiophen-3-yl-2,3-dihydro-1H-pyrrolo[2,3-b]pyridine.
What is the SMILES notation for 3-[(6-methoxy-3-pyridinyl)methyl]-4-thiophen-3-yl-2,3-dihydro-1H-pyrrolo[2,3-b]pyridine?
The canonical SMILES for 3-[(6-methoxy-3-pyridinyl)methyl]-4-thiophen-3-yl-2,3-dihydro-1H-pyrrolo[2,3-b]pyridine is COc1ccc(CC2CNc3nccc(-c4ccsc4)c32)cn1.
What is the InChIKey of 3-[(6-methoxy-3-pyridinyl)methyl]-4-thiophen-3-yl-2,3-dihydro-1H-pyrrolo[2,3-b]pyridine?
The InChIKey is YXFKFNICVQBBPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3OS/c1-22-16-3-2-12(9-20-16)8-14-10-21-18-17(14)15(4-6-19-18)13-5-7-23-11-13/h2-7,9,11,14H,8,10H2,1H3,(H,19,21).
What are the key properties of 3-[(6-methoxy-3-pyridinyl)methyl]-4-thiophen-3-yl-2,3-dihydro-1H-pyrrolo[2,3-b]pyridine?
3-[(6-methoxy-3-pyridinyl)methyl]-4-thiophen-3-yl-2,3-dihydro-1H-pyrrolo[2,3-b]pyridine has a molecular weight of 323.42 g/mol, XLogP of 3.97, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(6-methoxy-3-pyridinyl)methyl]-4-thiophen-3-yl-2,3-dihydro-1H-pyrrolo[2,3-b]pyridine is sourced from PubChem (CID 71026287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).