2-ethyl-5,7-dimethyl-3-[[4-[3-(3-methyl-4-propan-2-ylpiperazin-1-yl)propyl]phenyl]methyl]imidazo[4,5-b]pyridine

C28H41N5 — CID 44516921

IUPAC2-ethyl-5,7-dimethyl-3-[[4-[3-(3-methyl-4-propan-2-ylpiperazin-1-yl)propyl]phenyl]methyl]imidazo[4,5-b]pyridine
SMILESCCc1nc2c(C)cc(C)nc2n1Cc1ccc(CCCN2CCN(C(C)C)C(C)C2)cc1
InChIInChI=1S/C28H41N5/c1-7-26-30-27-21(4)17-22(5)29-28(27)33(26)19-25-12-10-24(11-13-25)9-8-14-31-15-16-32(20(2)3)23(6)18-31/h10-13,17,20,23H,7-9,14-16,18-19H2,1-6H3
InChIKeyOHHSRNZTSSOJHF-UHFFFAOYSA-N
MW447.67 g/mol
LogP5.01
Rot. Bonds8

About 2-ethyl-5,7-dimethyl-3-[[4-[3-(3-methyl-4-propan-2-ylpiperazin-1-yl)propyl]phenyl]methyl]imidazo[4,5-b]pyridine

2-ethyl-5,7-dimethyl-3-[[4-[3-(3-methyl-4-propan-2-ylpiperazin-1-yl)propyl]phenyl]methyl]imidazo[4,5-b]pyridine (PubChem CID 44516921) has the molecular formula C28H41N5 and a molecular weight of 447.67 g/mol. Its IUPAC name is 2-ethyl-5,7-dimethyl-3-[[4-[3-(3-methyl-4-propan-2-ylpiperazin-1-yl)propyl]phenyl]methyl]imidazo[4,5-b]pyridine.

Molecular Properties

Compound Name2-ethyl-5,7-dimethyl-3-[[4-[3-(3-methyl-4-propan-2-ylpiperazin-1-yl)propyl]phenyl]methyl]imidazo[4,5-b]pyridine
PubChem CID44516921
Molecular FormulaC28H41N5
Molecular Weight447.67 g/mol
Exact Mass447.34
IUPAC Name2-ethyl-5,7-dimethyl-3-[[4-[3-(3-methyl-4-propan-2-ylpiperazin-1-yl)propyl]phenyl]methyl]imidazo[4,5-b]pyridine
SMILESCCc1nc2c(C)cc(C)nc2n1Cc1ccc(CCCN2CCN(C(C)C)C(C)C2)cc1
InChIInChI=1S/C28H41N5/c1-7-26-30-27-21(4)17-22(5)29-28(27)33(26)19-25-12-10-24(11-13-25)9-8-14-31-15-16-32(20(2)3)23(6)18-31/h10-13,17,20,23H,7-9,14-16,18-19H2,1-6H3
InChIKeyOHHSRNZTSSOJHF-UHFFFAOYSA-N
XLogP5.01
TPSA37.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500447.67
LogP ≤ 55.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-ethyl-5,7-dimethyl-3-[[4-[3-(3-methyl-4-propan-2-ylpiperazin-1-yl)propyl]phenyl]methyl]imidazo[4,5-b]pyridine with MolForge

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Related Compounds

2-Amino-1-Methyl-6-Phenylimidazo(4,5-b)Pyridine
CID 1530
Lerisetron
CID 65997
Glu-P 1
CID 49971
Miransertib
CID 53262401
L-158809
CID 183134
6-(4-((4-Ethyl-1-piperazinyl)methyl)phenyl)-N-((1R)-1-phenylethyl)-7H-pyrrolo(2,3-d)pyrimidin-4-amine
CID 10297043
2-(Hydroxyamino)-1-methyl-6-phenylimidazo(4,5-b)pyridine
CID 104954
6-Methyl-2-(4-methylphenyl)imidazo(1,2-a)pyridine
CID 667720
Ralimetinib
CID 11539025
FK-739 free acid
CID 9801627
2,6-Diphenylimidazo[1,2-a]pyridine
CID 58880626
13-Amino-11-(4-methylphenyl)-1,8-diazatricyclo[7.4.0.0,2,7]trideca-2,4,6,8,10,12-hexaene-10,12-dicarbonitrile
CID 699043

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-5,7-dimethyl-3-[[4-[3-(3-methyl-4-propan-2-ylpiperazin-1-yl)propyl]phenyl]methyl]imidazo[4,5-b]pyridine?
The IUPAC name of 2-ethyl-5,7-dimethyl-3-[[4-[3-(3-methyl-4-propan-2-ylpiperazin-1-yl)propyl]phenyl]methyl]imidazo[4,5-b]pyridine (CID 44516921) is 2-ethyl-5,7-dimethyl-3-[[4-[3-(3-methyl-4-propan-2-ylpiperazin-1-yl)propyl]phenyl]methyl]imidazo[4,5-b]pyridine.
What is the SMILES notation for 2-ethyl-5,7-dimethyl-3-[[4-[3-(3-methyl-4-propan-2-ylpiperazin-1-yl)propyl]phenyl]methyl]imidazo[4,5-b]pyridine?
The canonical SMILES for 2-ethyl-5,7-dimethyl-3-[[4-[3-(3-methyl-4-propan-2-ylpiperazin-1-yl)propyl]phenyl]methyl]imidazo[4,5-b]pyridine is CCc1nc2c(C)cc(C)nc2n1Cc1ccc(CCCN2CCN(C(C)C)C(C)C2)cc1.
What is the InChIKey of 2-ethyl-5,7-dimethyl-3-[[4-[3-(3-methyl-4-propan-2-ylpiperazin-1-yl)propyl]phenyl]methyl]imidazo[4,5-b]pyridine?
The InChIKey is OHHSRNZTSSOJHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H41N5/c1-7-26-30-27-21(4)17-22(5)29-28(27)33(26)19-25-12-10-24(11-13-25)9-8-14-31-15-16-32(20(2)3)23(6)18-31/h10-13,17,20,23H,7-9,14-16,18-19H2,1-6H3.
What are the key properties of 2-ethyl-5,7-dimethyl-3-[[4-[3-(3-methyl-4-propan-2-ylpiperazin-1-yl)propyl]phenyl]methyl]imidazo[4,5-b]pyridine?
2-ethyl-5,7-dimethyl-3-[[4-[3-(3-methyl-4-propan-2-ylpiperazin-1-yl)propyl]phenyl]methyl]imidazo[4,5-b]pyridine has a molecular weight of 447.67 g/mol, XLogP of 5.01, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-5,7-dimethyl-3-[[4-[3-(3-methyl-4-propan-2-ylpiperazin-1-yl)propyl]phenyl]methyl]imidazo[4,5-b]pyridine is sourced from PubChem (CID 44516921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).