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

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Related Compounds

Bos172722
CID 73386890
N-[(1-methylpiperidin-4-yl)methyl]-3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazin-6-amine
CID 24795070
N4-methyl-N2-{2-methyl-1-[2-({3-methyl-3H-imidazo[4,5-b]pyridin-6-yl}oxy)phenyl]-1H-indol-6-yl}pyrimidine-2,4-diamine
CID 121231410
7-butyl-6-(4-methoxyphenyl)-5H-pyrrolo[2,3-b]pyrazine
CID 3641059
N-{4-[3-(dimethylamino)-2-hydroxypropoxy]phenyl}-4-{2-methylimidazo[1,2-a]pyridin-3-yl}pyrimidin-2-amine
CID 6539010
4-[2-Methyl-3-(2-phenoxyethyl)imidazo[4,5-b]pyridin-5-yl]pyridine-2,6-diamine
CID 135335939
N6-(2,5-Dimethoxy-Benzyl)-N6-Methyl-Pyrido[2,3-D]Pyrimidine-2,4,6-Triamine
CID 444617
2,4-Diamino-6-(N-(3',5'-Dimethoxybenzyl)-N-Methylamino)Pyrido(2,3-D)Pyrimidine
CID 447022
2-(2,6-Difluorophenoxy)-N-(2-fluorophenyl)-9-isopropyl-9H-purin-8-amine
CID 9543517
Meriolin 3
CID 23727981
9-butyl-8-(4-methoxybenzyl)-9H-purin-6-amine
CID 5289227
1-(4-methoxyphenyl)-N-[(4-propan-2-ylphenyl)methyl]benzimidazol-5-amine
CID 3697969

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).