3-[[4-(1-benzofuran-2-yl)-3,4-dihydro-2H-pyridin-1-yl]methyl]-1H-pyrrolo[2,3-b]pyridine

C21H19N3O — CID 57204188

IUPAC3-[[4-(1-benzofuran-2-yl)-3,4-dihydro-2H-pyridin-1-yl]methyl]-1H-pyrrolo[2,3-b]pyridine
SMILESC1=CN(Cc2c[nH]c3ncccc23)CCC1c1cc2ccccc2o1
InChIInChI=1S/C21H19N3O/c1-2-6-19-16(4-1)12-20(25-19)15-7-10-24(11-8-15)14-17-13-23-21-18(17)5-3-9-22-21/h1-7,9-10,12-13,15H,8,11,14H2,(H,22,23)
InChIKeyNEAQVPHAOXDBTK-UHFFFAOYSA-N
MW329.40 g/mol
LogP4.81
Rot. Bonds3

About 3-[[4-(1-benzofuran-2-yl)-3,4-dihydro-2H-pyridin-1-yl]methyl]-1H-pyrrolo[2,3-b]pyridine

3-[[4-(1-benzofuran-2-yl)-3,4-dihydro-2H-pyridin-1-yl]methyl]-1H-pyrrolo[2,3-b]pyridine (PubChem CID 57204188) has the molecular formula C21H19N3O and a molecular weight of 329.40 g/mol. Its IUPAC name is 3-[[4-(1-benzofuran-2-yl)-3,4-dihydro-2H-pyridin-1-yl]methyl]-1H-pyrrolo[2,3-b]pyridine.

Molecular Properties

Compound Name3-[[4-(1-benzofuran-2-yl)-3,4-dihydro-2H-pyridin-1-yl]methyl]-1H-pyrrolo[2,3-b]pyridine
PubChem CID57204188
Molecular FormulaC21H19N3O
Molecular Weight329.40 g/mol
Exact Mass329.15
IUPAC Name3-[[4-(1-benzofuran-2-yl)-3,4-dihydro-2H-pyridin-1-yl]methyl]-1H-pyrrolo[2,3-b]pyridine
SMILESC1=CN(Cc2c[nH]c3ncccc23)CCC1c1cc2ccccc2o1
InChIInChI=1S/C21H19N3O/c1-2-6-19-16(4-1)12-20(25-19)15-7-10-24(11-8-15)14-17-13-23-21-18(17)5-3-9-22-21/h1-7,9-10,12-13,15H,8,11,14H2,(H,22,23)
InChIKeyNEAQVPHAOXDBTK-UHFFFAOYSA-N
XLogP4.81
TPSA45.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 54.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-[[4-(1-benzofuran-2-yl)-3,4-dihydro-2H-pyridin-1-yl]methyl]-1H-pyrrolo[2,3-b]pyridine with MolForge

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Related Compounds

3-[[4-(4-chlorophenyl)piperazin-1-yl]methyl]-1H-pyrrolo[2,3-b]pyridine;hydrochloride
CID 11957618
3-[[4-(5-chloro-2-pyridinyl)piperazin-1-yl]methyl]-1H-pyrrolo[2,3-b]pyridine
CID 19958504
3-[[(2S)-1-methylpyrrolidin-2-yl]methyl]-1H-pyrrolo[2,3-b]pyridine
CID 58172476
3-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)-1H-pyrrolo[2,3-b]pyridine
CID 12037446
3-[[4-(6-methoxy-2-pyridinyl)piperazin-1-yl]methyl]-1H-pyrrolo[2,3-b]pyridine
CID 67631416
2-[1-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)pyrrolidin-2-yl]acetic acid
CID 66413596
1-[4-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)piperazin-1-yl]propan-1-one
CID 166351746
N-[[1-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)piperidin-3-yl]methyl]propan-2-amine
CID 66410814
6-chloro-N-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)-1,3-benzodioxol-5-amine
CID 66414845
2-[4-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)piperazin-1-yl]propanoic acid
CID 66413194
1-methyl-3-(1H-pyrrolo[2,3-b]pyridin-3-ylmethylamino)pyrrolidin-2-one
CID 106252551
2-[1-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)pyrrolidin-3-yl]acetic acid
CID 66413002

Frequently Asked Questions

What is the IUPAC name of 3-[[4-(1-benzofuran-2-yl)-3,4-dihydro-2H-pyridin-1-yl]methyl]-1H-pyrrolo[2,3-b]pyridine?
The IUPAC name of 3-[[4-(1-benzofuran-2-yl)-3,4-dihydro-2H-pyridin-1-yl]methyl]-1H-pyrrolo[2,3-b]pyridine (CID 57204188) is 3-[[4-(1-benzofuran-2-yl)-3,4-dihydro-2H-pyridin-1-yl]methyl]-1H-pyrrolo[2,3-b]pyridine.
What is the SMILES notation for 3-[[4-(1-benzofuran-2-yl)-3,4-dihydro-2H-pyridin-1-yl]methyl]-1H-pyrrolo[2,3-b]pyridine?
The canonical SMILES for 3-[[4-(1-benzofuran-2-yl)-3,4-dihydro-2H-pyridin-1-yl]methyl]-1H-pyrrolo[2,3-b]pyridine is C1=CN(Cc2c[nH]c3ncccc23)CCC1c1cc2ccccc2o1.
What is the InChIKey of 3-[[4-(1-benzofuran-2-yl)-3,4-dihydro-2H-pyridin-1-yl]methyl]-1H-pyrrolo[2,3-b]pyridine?
The InChIKey is NEAQVPHAOXDBTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N3O/c1-2-6-19-16(4-1)12-20(25-19)15-7-10-24(11-8-15)14-17-13-23-21-18(17)5-3-9-22-21/h1-7,9-10,12-13,15H,8,11,14H2,(H,22,23).
What are the key properties of 3-[[4-(1-benzofuran-2-yl)-3,4-dihydro-2H-pyridin-1-yl]methyl]-1H-pyrrolo[2,3-b]pyridine?
3-[[4-(1-benzofuran-2-yl)-3,4-dihydro-2H-pyridin-1-yl]methyl]-1H-pyrrolo[2,3-b]pyridine has a molecular weight of 329.40 g/mol, XLogP of 4.81, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-(1-benzofuran-2-yl)-3,4-dihydro-2H-pyridin-1-yl]methyl]-1H-pyrrolo[2,3-b]pyridine is sourced from PubChem (CID 57204188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).