3-[(3-methoxyphenyl)methyl]-7-piperazin-1-yl-2-propan-2-ylimidazo[4,5-b]pyridine

C21H27N5O — CID 126720407

IUPAC3-[(3-methoxyphenyl)methyl]-7-piperazin-1-yl-2-propan-2-ylimidazo[4,5-b]pyridine
SMILESCOc1cccc(Cn2c(C(C)C)nc3c(N4CCNCC4)ccnc32)c1
InChIInChI=1S/C21H27N5O/c1-15(2)20-24-19-18(25-11-9-22-10-12-25)7-8-23-21(19)26(20)14-16-5-4-6-17(13-16)27-3/h4-8,13,15,22H,9-12,14H2,1-3H3
InChIKeyBKSVNOGFWRASAG-UHFFFAOYSA-N
MW365.48 g/mol
LogP3.02
Rot. Bonds5

About 3-[(3-methoxyphenyl)methyl]-7-piperazin-1-yl-2-propan-2-ylimidazo[4,5-b]pyridine

3-[(3-methoxyphenyl)methyl]-7-piperazin-1-yl-2-propan-2-ylimidazo[4,5-b]pyridine (PubChem CID 126720407) has the molecular formula C21H27N5O and a molecular weight of 365.48 g/mol. Its IUPAC name is 3-[(3-methoxyphenyl)methyl]-7-piperazin-1-yl-2-propan-2-ylimidazo[4,5-b]pyridine.

Molecular Properties

Compound Name3-[(3-methoxyphenyl)methyl]-7-piperazin-1-yl-2-propan-2-ylimidazo[4,5-b]pyridine
PubChem CID126720407
Molecular FormulaC21H27N5O
Molecular Weight365.48 g/mol
Exact Mass365.22
IUPAC Name3-[(3-methoxyphenyl)methyl]-7-piperazin-1-yl-2-propan-2-ylimidazo[4,5-b]pyridine
SMILESCOc1cccc(Cn2c(C(C)C)nc3c(N4CCNCC4)ccnc32)c1
InChIInChI=1S/C21H27N5O/c1-15(2)20-24-19-18(25-11-9-22-10-12-25)7-8-23-21(19)26(20)14-16-5-4-6-17(13-16)27-3/h4-8,13,15,22H,9-12,14H2,1-3H3
InChIKeyBKSVNOGFWRASAG-UHFFFAOYSA-N
XLogP3.02
TPSA55.21 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.48
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 3-[(3-methoxyphenyl)methyl]-7-piperazin-1-yl-2-propan-2-ylimidazo[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

Frequently Asked Questions

What is the IUPAC name of 3-[(3-methoxyphenyl)methyl]-7-piperazin-1-yl-2-propan-2-ylimidazo[4,5-b]pyridine?
The IUPAC name of 3-[(3-methoxyphenyl)methyl]-7-piperazin-1-yl-2-propan-2-ylimidazo[4,5-b]pyridine (CID 126720407) is 3-[(3-methoxyphenyl)methyl]-7-piperazin-1-yl-2-propan-2-ylimidazo[4,5-b]pyridine.
What is the SMILES notation for 3-[(3-methoxyphenyl)methyl]-7-piperazin-1-yl-2-propan-2-ylimidazo[4,5-b]pyridine?
The canonical SMILES for 3-[(3-methoxyphenyl)methyl]-7-piperazin-1-yl-2-propan-2-ylimidazo[4,5-b]pyridine is COc1cccc(Cn2c(C(C)C)nc3c(N4CCNCC4)ccnc32)c1.
What is the InChIKey of 3-[(3-methoxyphenyl)methyl]-7-piperazin-1-yl-2-propan-2-ylimidazo[4,5-b]pyridine?
The InChIKey is BKSVNOGFWRASAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N5O/c1-15(2)20-24-19-18(25-11-9-22-10-12-25)7-8-23-21(19)26(20)14-16-5-4-6-17(13-16)27-3/h4-8,13,15,22H,9-12,14H2,1-3H3.
What are the key properties of 3-[(3-methoxyphenyl)methyl]-7-piperazin-1-yl-2-propan-2-ylimidazo[4,5-b]pyridine?
3-[(3-methoxyphenyl)methyl]-7-piperazin-1-yl-2-propan-2-ylimidazo[4,5-b]pyridine has a molecular weight of 365.48 g/mol, XLogP of 3.02, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-methoxyphenyl)methyl]-7-piperazin-1-yl-2-propan-2-ylimidazo[4,5-b]pyridine is sourced from PubChem (CID 126720407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).