3-[[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-3,6-dihydro-2H-pyridin-1-yl]methyl]phenol

C19H19N3O — CID 167827485

IUPAC3-[[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-3,6-dihydro-2H-pyridin-1-yl]methyl]phenol
SMILESOc1cccc(CN2CC=C(c3c[nH]c4ncccc34)CC2)c1
InChIInChI=1S/C19H19N3O/c23-16-4-1-3-14(11-16)13-22-9-6-15(7-10-22)18-12-21-19-17(18)5-2-8-20-19/h1-6,8,11-12,23H,7,9-10,13H2,(H,20,21)
InChIKeyBLXGZXARTNGCQY-UHFFFAOYSA-N
MW305.38 g/mol
LogP3.56
Rot. Bonds3

About 3-[[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-3,6-dihydro-2H-pyridin-1-yl]methyl]phenol

3-[[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-3,6-dihydro-2H-pyridin-1-yl]methyl]phenol (PubChem CID 167827485) has the molecular formula C19H19N3O and a molecular weight of 305.38 g/mol. Its IUPAC name is 3-[[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-3,6-dihydro-2H-pyridin-1-yl]methyl]phenol.

Molecular Properties

Compound Name3-[[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-3,6-dihydro-2H-pyridin-1-yl]methyl]phenol
PubChem CID167827485
Molecular FormulaC19H19N3O
Molecular Weight305.38 g/mol
Exact Mass305.15
IUPAC Name3-[[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-3,6-dihydro-2H-pyridin-1-yl]methyl]phenol
SMILESOc1cccc(CN2CC=C(c3c[nH]c4ncccc34)CC2)c1
InChIInChI=1S/C19H19N3O/c23-16-4-1-3-14(11-16)13-22-9-6-15(7-10-22)18-12-21-19-17(18)5-2-8-20-19/h1-6,8,11-12,23H,7,9-10,13H2,(H,20,21)
InChIKeyBLXGZXARTNGCQY-UHFFFAOYSA-N
XLogP3.56
TPSA52.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.38
LogP ≤ 53.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-[[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-3,6-dihydro-2H-pyridin-1-yl]methyl]phenol with MolForge

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

Launch Full Analysis

Related Compounds

3-[1-[(2-bromo-5-chloro-3-pyridinyl)methyl]-3,6-dihydro-2H-pyridin-4-yl]-1H-pyrrolo[2,3-b]pyridine
CID 167750941
3-[1-[[5-(3-methylphenyl)-1H-pyrazol-4-yl]methyl]-3,6-dihydro-2H-pyridin-4-yl]-1H-pyrrolo[2,3-b]pyridine
CID 167858768
benzyl 4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-3,6-dihydro-2H-pyridine-1-carboxylate
CID 44633230
N-[(3-fluorophenyl)methyl]-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-3,6-dihydro-2H-pyridine-1-carboxamide
CID 44634149
3-(1-methylsulfinyl-3,6-dihydro-2H-pyridin-4-yl)-1H-pyrrolo[2,3-b]pyridine
CID 144855080
5-[[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-3,6-dihydro-2H-pyridin-1-yl]methyl]oxolan-2-one
CID 154759623
5-chloro-2-[[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-3,6-dihydro-2H-pyridin-1-yl]methyl]benzonitrile;2,2,2-trifluoroacetic acid
CID 167827490
3-[1-(benzenesulfonyl)-3,6-dihydro-2H-pyridin-4-yl]-1H-pyrrolo[2,3-b]pyridine
CID 31843281
4-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-3,6-dihydro-2H-pyridine-1-carbonyl]benzamide
CID 75466601
N,N-diethyl-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-3,6-dihydro-2H-pyridine-1-sulfonamide
CID 31843631
1-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-3,6-dihydro-2H-pyridin-1-yl]hexan-1-one
CID 24676138
3-(1-methyl-2,5-dihydropyrrol-3-yl)-1H-pyrrolo[2,3-b]pyridine
CID 58349740

Frequently Asked Questions

What is the IUPAC name of 3-[[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-3,6-dihydro-2H-pyridin-1-yl]methyl]phenol?
The IUPAC name of 3-[[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-3,6-dihydro-2H-pyridin-1-yl]methyl]phenol (CID 167827485) is 3-[[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-3,6-dihydro-2H-pyridin-1-yl]methyl]phenol.
What is the SMILES notation for 3-[[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-3,6-dihydro-2H-pyridin-1-yl]methyl]phenol?
The canonical SMILES for 3-[[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-3,6-dihydro-2H-pyridin-1-yl]methyl]phenol is Oc1cccc(CN2CC=C(c3c[nH]c4ncccc34)CC2)c1.
What is the InChIKey of 3-[[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-3,6-dihydro-2H-pyridin-1-yl]methyl]phenol?
The InChIKey is BLXGZXARTNGCQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O/c23-16-4-1-3-14(11-16)13-22-9-6-15(7-10-22)18-12-21-19-17(18)5-2-8-20-19/h1-6,8,11-12,23H,7,9-10,13H2,(H,20,21).
What are the key properties of 3-[[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-3,6-dihydro-2H-pyridin-1-yl]methyl]phenol?
3-[[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-3,6-dihydro-2H-pyridin-1-yl]methyl]phenol has a molecular weight of 305.38 g/mol, XLogP of 3.56, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-3,6-dihydro-2H-pyridin-1-yl]methyl]phenol is sourced from PubChem (CID 167827485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).