2-(3-bromo-4-phenylmethoxyphenyl)-6-piperidin-4-yl-1H-imidazo[4,5-b]pyridine

C24H23BrN4O — CID 90356809

IUPAC2-(3-bromo-4-phenylmethoxyphenyl)-6-piperidin-4-yl-1H-imidazo[4,5-b]pyridine
SMILESBrc1cc(-c2nc3ncc(C4CCNCC4)cc3[nH]2)ccc1OCc1ccccc1
InChIInChI=1S/C24H23BrN4O/c25-20-12-18(6-7-22(20)30-15-16-4-2-1-3-5-16)23-28-21-13-19(14-27-24(21)29-23)17-8-10-26-11-9-17/h1-7,12-14,17,26H,8-11,15H2,(H,27,28,29)
InChIKeyKBMINZGEDRLRPB-UHFFFAOYSA-N
MW463.38 g/mol
LogP5.43
Rot. Bonds5

About 2-(3-bromo-4-phenylmethoxyphenyl)-6-piperidin-4-yl-1H-imidazo[4,5-b]pyridine

2-(3-bromo-4-phenylmethoxyphenyl)-6-piperidin-4-yl-1H-imidazo[4,5-b]pyridine (PubChem CID 90356809) has the molecular formula C24H23BrN4O and a molecular weight of 463.38 g/mol. Its IUPAC name is 2-(3-bromo-4-phenylmethoxyphenyl)-6-piperidin-4-yl-1H-imidazo[4,5-b]pyridine.

Molecular Properties

Compound Name2-(3-bromo-4-phenylmethoxyphenyl)-6-piperidin-4-yl-1H-imidazo[4,5-b]pyridine
PubChem CID90356809
Molecular FormulaC24H23BrN4O
Molecular Weight463.38 g/mol
Exact Mass462.11
IUPAC Name2-(3-bromo-4-phenylmethoxyphenyl)-6-piperidin-4-yl-1H-imidazo[4,5-b]pyridine
SMILESBrc1cc(-c2nc3ncc(C4CCNCC4)cc3[nH]2)ccc1OCc1ccccc1
InChIInChI=1S/C24H23BrN4O/c25-20-12-18(6-7-22(20)30-15-16-4-2-1-3-5-16)23-28-21-13-19(14-27-24(21)29-23)17-8-10-26-11-9-17/h1-7,12-14,17,26H,8-11,15H2,(H,27,28,29)
InChIKeyKBMINZGEDRLRPB-UHFFFAOYSA-N
XLogP5.43
TPSA62.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500463.38
LogP ≤ 55.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-(3-bromo-4-phenylmethoxyphenyl)-6-piperidin-4-yl-1H-imidazo[4,5-b]pyridine 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

4-N-(3-bromophenyl)-6-N-[(4-methoxyphenyl)methyl]pyrido[3,4-d]pyrimidine-4,6-diamine
CID 5328263
1-[2-(4-{3-phenyl-3H-imidazo[4,5-b]pyridin-6-yl}phenoxy)ethyl]piperidine
CID 5329413
6-phenyl[5H]pyrrolo[2,3-b]pyrazine (aloisine) 36
CID 6538786
2-{4-[(6,7-Difluoro-1h-Benzimidazol-2-Yl)amino]phenoxy}-N-Methyl-3,4'-Bipyridin-2'-Amine
CID 24983496
7-(cyclohexylmethyl)-6-(4-methoxyphenyl)-5H-pyrrolo[2,3-b]pyrazine
CID 6538790
(3S)-1-(4-methoxyphenyl)-3-(5-phenyl-1H-imidazol-2-yl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole
CID 9802240
2-[2-(4-methoxy-2-pyridinyl)ethyl]-7-(2-phenylethoxy)-1H-imidazo[4,5-b]pyridine
CID 10172593
2-(2-Butoxy-phenyl)-3H-imidazo[4,5-b]pyridine
CID 10423102
Benzamide, N-[4-[[[5-(1H-benzimidazol-2-yl)-2-pyridinyl]amino]methyl]phenyl]-3-bromo-4-methoxy-
CID 11663697
3-(1-(4-phenoxybenzyl)piperidin-4-yl)-1H-pyrrolo[2,3-b]pyridine
CID 44413413
2-(chroman-3-yl)-6-(pyridin-4-yl)-1H-benzo[d]imidazole
CID 44563186
6-Bromo-2-(4-methoxyphenyl)-7-(4-(pyridin-3-ylmethyl)piperazin-1-yl)-3H-imidazo[4,5-b]pyridine
CID 46866784

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromo-4-phenylmethoxyphenyl)-6-piperidin-4-yl-1H-imidazo[4,5-b]pyridine?
The IUPAC name of 2-(3-bromo-4-phenylmethoxyphenyl)-6-piperidin-4-yl-1H-imidazo[4,5-b]pyridine (CID 90356809) is 2-(3-bromo-4-phenylmethoxyphenyl)-6-piperidin-4-yl-1H-imidazo[4,5-b]pyridine.
What is the SMILES notation for 2-(3-bromo-4-phenylmethoxyphenyl)-6-piperidin-4-yl-1H-imidazo[4,5-b]pyridine?
The canonical SMILES for 2-(3-bromo-4-phenylmethoxyphenyl)-6-piperidin-4-yl-1H-imidazo[4,5-b]pyridine is Brc1cc(-c2nc3ncc(C4CCNCC4)cc3[nH]2)ccc1OCc1ccccc1.
What is the InChIKey of 2-(3-bromo-4-phenylmethoxyphenyl)-6-piperidin-4-yl-1H-imidazo[4,5-b]pyridine?
The InChIKey is KBMINZGEDRLRPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23BrN4O/c25-20-12-18(6-7-22(20)30-15-16-4-2-1-3-5-16)23-28-21-13-19(14-27-24(21)29-23)17-8-10-26-11-9-17/h1-7,12-14,17,26H,8-11,15H2,(H,27,28,29).
What are the key properties of 2-(3-bromo-4-phenylmethoxyphenyl)-6-piperidin-4-yl-1H-imidazo[4,5-b]pyridine?
2-(3-bromo-4-phenylmethoxyphenyl)-6-piperidin-4-yl-1H-imidazo[4,5-b]pyridine has a molecular weight of 463.38 g/mol, XLogP of 5.43, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromo-4-phenylmethoxyphenyl)-6-piperidin-4-yl-1H-imidazo[4,5-b]pyridine is sourced from PubChem (CID 90356809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).