[3-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]imidazo[4,5-b]pyridin-2-yl]urea

C22H29N7O2 — CID 69452906

IUPAC[3-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]imidazo[4,5-b]pyridin-2-yl]urea
SMILESCOc1ccccc1N1CCN(CCCCn2c(NC(N)=O)nc3cccnc32)CC1
InChIInChI=1S/C22H29N7O2/c1-31-19-9-3-2-8-18(19)28-15-13-27(14-16-28)11-4-5-12-29-20-17(7-6-10-24-20)25-22(29)26-21(23)30/h2-3,6-10H,4-5,11-16H2,1H3,(H3,23,25,26,30)
InChIKeyMXLYBQNEKBSTMS-UHFFFAOYSA-N
MW423.52 g/mol
LogP2.53
Rot. Bonds8

About [3-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]imidazo[4,5-b]pyridin-2-yl]urea

[3-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]imidazo[4,5-b]pyridin-2-yl]urea (PubChem CID 69452906) has the molecular formula C22H29N7O2 and a molecular weight of 423.52 g/mol. Its IUPAC name is [3-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]imidazo[4,5-b]pyridin-2-yl]urea.

Molecular Properties

Compound Name[3-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]imidazo[4,5-b]pyridin-2-yl]urea
PubChem CID69452906
Molecular FormulaC22H29N7O2
Molecular Weight423.52 g/mol
Exact Mass423.24
IUPAC Name[3-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]imidazo[4,5-b]pyridin-2-yl]urea
SMILESCOc1ccccc1N1CCN(CCCCn2c(NC(N)=O)nc3cccnc32)CC1
InChIInChI=1S/C22H29N7O2/c1-31-19-9-3-2-8-18(19)28-15-13-27(14-16-28)11-4-5-12-29-20-17(7-6-10-24-20)25-22(29)26-21(23)30/h2-3,6-10H,4-5,11-16H2,1H3,(H3,23,25,26,30)
InChIKeyMXLYBQNEKBSTMS-UHFFFAOYSA-N
XLogP2.53
TPSA101.54 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.52
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze [3-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]imidazo[4,5-b]pyridin-2-yl]urea 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-[4-(2-methoxyphenyl)piperazin-1-yl]propanamide
CID 10849160
3-[4-(2-methoxyphenyl)piperazin-1-yl]propan-1-amine
CID 10467259
N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-1-methylbenzimidazol-2-amine
CID 10109444
2-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl-methylamino]-N,N-dimethylpyridine-3-carboxamide;hydrochloride
CID 21473475
N-(2-methoxyphenyl)-4-[2-[2-(4-methylphenyl)imidazo[4,5-b]pyridin-3-yl]ethyl]piperazine-1-carboxamide
CID 46389453
N,N-diethyl-2-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propylamino]pyridine-3-carboxamide;hydrochloride
CID 21473401
3-(4-quinolin-8-ylpiperazin-1-yl)propyl N-(3,4,5-trimethoxyphenyl)carbamate
CID 23176302
[4-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]indolizin-4-ium-2-yl]urea
CID 87747847
5-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butoxy]-1,3-benzothiazol-2-amine
CID 155529400
[5-[5-[4-(2-methoxyphenyl)piperazin-1-yl]pentanoyl]-2-methylsulfinylphenyl]urea
CID 3063186
1-(2-methoxyphenyl)-4-[4-(2-methylimidazol-1-yl)butyl]piperazine
CID 172860872
N-[5-[4-(2-methoxyphenyl)piperazin-1-yl]pentyl]quinolin-2-amine
CID 24805876

Frequently Asked Questions

What is the IUPAC name of [3-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]imidazo[4,5-b]pyridin-2-yl]urea?
The IUPAC name of [3-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]imidazo[4,5-b]pyridin-2-yl]urea (CID 69452906) is [3-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]imidazo[4,5-b]pyridin-2-yl]urea.
What is the SMILES notation for [3-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]imidazo[4,5-b]pyridin-2-yl]urea?
The canonical SMILES for [3-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]imidazo[4,5-b]pyridin-2-yl]urea is COc1ccccc1N1CCN(CCCCn2c(NC(N)=O)nc3cccnc32)CC1.
What is the InChIKey of [3-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]imidazo[4,5-b]pyridin-2-yl]urea?
The InChIKey is MXLYBQNEKBSTMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N7O2/c1-31-19-9-3-2-8-18(19)28-15-13-27(14-16-28)11-4-5-12-29-20-17(7-6-10-24-20)25-22(29)26-21(23)30/h2-3,6-10H,4-5,11-16H2,1H3,(H3,23,25,26,30).
What are the key properties of [3-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]imidazo[4,5-b]pyridin-2-yl]urea?
[3-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]imidazo[4,5-b]pyridin-2-yl]urea has a molecular weight of 423.52 g/mol, XLogP of 2.53, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]imidazo[4,5-b]pyridin-2-yl]urea is sourced from PubChem (CID 69452906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).