4-[2-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-(2-indol-1-ylethyl)imidazo[4,5-b]pyridin-3-yl]ethyl]morpholine;dihydrochloride

C27H32Cl2N6O2 — CID 138469768

IUPAC4-[2-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-(2-indol-1-ylethyl)imidazo[4,5-b]pyridin-3-yl]ethyl]morpholine;dihydrochloride
SMILESCc1noc(C)c1-c1cnc2c(c1)nc(CCn1ccc3ccccc31)n2CCN1CCOCC1.Cl.Cl
InChIInChI=1S/C27H30N6O2.2ClH/c1-19-26(20(2)35-30-19)22-17-23-27(28-18-22)33(12-11-31-13-15-34-16-14-31)25(29-23)8-10-32-9-7-21-5-3-4-6-24(21)32;;/h3-7,9,17-18H,8,10-16H2,1-2H3;2*1H
InChIKeyRDGSCWJTZKEZRG-UHFFFAOYSA-N
MW543.50 g/mol
LogP5.08
Rot. Bonds7

About 4-[2-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-(2-indol-1-ylethyl)imidazo[4,5-b]pyridin-3-yl]ethyl]morpholine;dihydrochloride

4-[2-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-(2-indol-1-ylethyl)imidazo[4,5-b]pyridin-3-yl]ethyl]morpholine;dihydrochloride (PubChem CID 138469768) has the molecular formula C27H32Cl2N6O2 and a molecular weight of 543.50 g/mol. Its IUPAC name is 4-[2-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-(2-indol-1-ylethyl)imidazo[4,5-b]pyridin-3-yl]ethyl]morpholine;dihydrochloride.

Molecular Properties

Compound Name4-[2-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-(2-indol-1-ylethyl)imidazo[4,5-b]pyridin-3-yl]ethyl]morpholine;dihydrochloride
PubChem CID138469768
Molecular FormulaC27H32Cl2N6O2
Molecular Weight543.50 g/mol
Exact Mass542.20
IUPAC Name4-[2-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-(2-indol-1-ylethyl)imidazo[4,5-b]pyridin-3-yl]ethyl]morpholine;dihydrochloride
SMILESCc1noc(C)c1-c1cnc2c(c1)nc(CCn1ccc3ccccc31)n2CCN1CCOCC1.Cl.Cl
InChIInChI=1S/C27H30N6O2.2ClH/c1-19-26(20(2)35-30-19)22-17-23-27(28-18-22)33(12-11-31-13-15-34-16-14-31)25(29-23)8-10-32-9-7-21-5-3-4-6-24(21)32;;/h3-7,9,17-18H,8,10-16H2,1-2H3;2*1H
InChIKeyRDGSCWJTZKEZRG-UHFFFAOYSA-N
XLogP5.08
TPSA74.14 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500543.50
LogP ≤ 55.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 4-[2-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-(2-indol-1-ylethyl)imidazo[4,5-b]pyridin-3-yl]ethyl]morpholine;dihydrochloride with MolForge

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Related Compounds

4-[2-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-[2-(4-methoxyphenyl)ethyl]imidazo[4,5-b]pyridin-3-yl]ethyl]-1,4-thiazinane 1-oxide
CID 138485126
3-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]-N-[2-[4-[2-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(2-morpholin-4-ylethyl)benzimidazol-2-yl]ethyl]phenoxy]ethyl]propanamide
CID 164924797
3-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]-N-[2-[4-[2-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(2-morpholin-4-ylethyl)benzimidazol-2-yl]ethyl]phenoxy]ethyl]prop-2-enamide
CID 164924804
6-methyl-3-(2-morpholin-4-ylethyl)imidazo[4,5-b]pyridin-2-amine
CID 79300752
3-(3-but-3-ynyldiazirin-3-yl)-N-[2-[4-[2-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(2-morpholin-4-ylethyl)benzimidazol-2-yl]ethyl]phenoxy]ethyl]propanamide
CID 171768055
4-(1-benzylindol-6-yl)-3,5-dimethyl-1,2-oxazole
CID 156790239
4-[1-benzyl-2-(4-methylpiperazin-1-yl)imidazo[4,5-b]pyridin-6-yl]-3,5-dimethyl-1,2-oxazole
CID 121375800
7-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(2-morpholin-4-ylethyl)-2-(2-phenylethyl)imidazo[1,2-a]pyridin-3-amine
CID 146589043
3,5-dimethyl-4-[1-[2-(oxan-4-yl)ethyl]-2-(2-quinoxalin-2-ylethyl)benzimidazol-5-yl]-1,2-oxazole;4-(3,5-dimethyl-1,2-oxazol-4-yl)-1-N-[2-(oxan-4-yl)ethyl]benzene-1,2-diamine
CID 161031685
1-[2-(4-methylpiperidin-1-yl)ethyl]indole
CID 22989568
1-(2-morpholin-4-ylethyl)quinoxalin-2-one
CID 142775762
3,5-dimethyl-4-[1-[(1S)-1-pyridin-2-ylethyl]pyrrolo[2,3-b]pyridin-5-yl]-1,2-oxazole
CID 155195055

Frequently Asked Questions

What is the IUPAC name of 4-[2-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-(2-indol-1-ylethyl)imidazo[4,5-b]pyridin-3-yl]ethyl]morpholine;dihydrochloride?
The IUPAC name of 4-[2-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-(2-indol-1-ylethyl)imidazo[4,5-b]pyridin-3-yl]ethyl]morpholine;dihydrochloride (CID 138469768) is 4-[2-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-(2-indol-1-ylethyl)imidazo[4,5-b]pyridin-3-yl]ethyl]morpholine;dihydrochloride.
What is the SMILES notation for 4-[2-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-(2-indol-1-ylethyl)imidazo[4,5-b]pyridin-3-yl]ethyl]morpholine;dihydrochloride?
The canonical SMILES for 4-[2-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-(2-indol-1-ylethyl)imidazo[4,5-b]pyridin-3-yl]ethyl]morpholine;dihydrochloride is Cc1noc(C)c1-c1cnc2c(c1)nc(CCn1ccc3ccccc31)n2CCN1CCOCC1.Cl.Cl.
What is the InChIKey of 4-[2-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-(2-indol-1-ylethyl)imidazo[4,5-b]pyridin-3-yl]ethyl]morpholine;dihydrochloride?
The InChIKey is RDGSCWJTZKEZRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30N6O2.2ClH/c1-19-26(20(2)35-30-19)22-17-23-27(28-18-22)33(12-11-31-13-15-34-16-14-31)25(29-23)8-10-32-9-7-21-5-3-4-6-24(21)32;;/h3-7,9,17-18H,8,10-16H2,1-2H3;2*1H.
What are the key properties of 4-[2-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-(2-indol-1-ylethyl)imidazo[4,5-b]pyridin-3-yl]ethyl]morpholine;dihydrochloride?
4-[2-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-(2-indol-1-ylethyl)imidazo[4,5-b]pyridin-3-yl]ethyl]morpholine;dihydrochloride has a molecular weight of 543.50 g/mol, XLogP of 5.08, 7 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-(2-indol-1-ylethyl)imidazo[4,5-b]pyridin-3-yl]ethyl]morpholine;dihydrochloride is sourced from PubChem (CID 138469768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).