4,6-dimethyl-3-[[3-(3-methyl-5,6,7,8-tetrahydro-2,7-naphthyridin-4-yl)-1,2,4-oxadiazol-5-yl]methyl]-1,3-dihydroindol-2-one;hydrochloride

C22H24ClN5O2 — CID 171991722

IUPAC4,6-dimethyl-3-[[3-(3-methyl-5,6,7,8-tetrahydro-2,7-naphthyridin-4-yl)-1,2,4-oxadiazol-5-yl]methyl]-1,3-dihydroindol-2-one;hydrochloride
SMILESCc1cc(C)c2c(c1)NC(=O)C2Cc1nc(-c2c(C)ncc3c2CCNC3)no1.Cl
InChIInChI=1S/C22H23N5O2.ClH/c1-11-6-12(2)19-16(22(28)25-17(19)7-11)8-18-26-21(27-29-18)20-13(3)24-10-14-9-23-5-4-15(14)20;/h6-7,10,16,23H,4-5,8-9H2,1-3H3,(H,25,28);1H
InChIKeyDZMKIJKHPAWFRQ-UHFFFAOYSA-N
MW425.92 g/mol
LogP3.40
Rot. Bonds3

About 4,6-dimethyl-3-[[3-(3-methyl-5,6,7,8-tetrahydro-2,7-naphthyridin-4-yl)-1,2,4-oxadiazol-5-yl]methyl]-1,3-dihydroindol-2-one;hydrochloride

4,6-dimethyl-3-[[3-(3-methyl-5,6,7,8-tetrahydro-2,7-naphthyridin-4-yl)-1,2,4-oxadiazol-5-yl]methyl]-1,3-dihydroindol-2-one;hydrochloride (PubChem CID 171991722) has the molecular formula C22H24ClN5O2 and a molecular weight of 425.92 g/mol. Its IUPAC name is 4,6-dimethyl-3-[[3-(3-methyl-5,6,7,8-tetrahydro-2,7-naphthyridin-4-yl)-1,2,4-oxadiazol-5-yl]methyl]-1,3-dihydroindol-2-one;hydrochloride.

Molecular Properties

Compound Name4,6-dimethyl-3-[[3-(3-methyl-5,6,7,8-tetrahydro-2,7-naphthyridin-4-yl)-1,2,4-oxadiazol-5-yl]methyl]-1,3-dihydroindol-2-one;hydrochloride
PubChem CID171991722
Molecular FormulaC22H24ClN5O2
Molecular Weight425.92 g/mol
Exact Mass425.16
IUPAC Name4,6-dimethyl-3-[[3-(3-methyl-5,6,7,8-tetrahydro-2,7-naphthyridin-4-yl)-1,2,4-oxadiazol-5-yl]methyl]-1,3-dihydroindol-2-one;hydrochloride
SMILESCc1cc(C)c2c(c1)NC(=O)C2Cc1nc(-c2c(C)ncc3c2CCNC3)no1.Cl
InChIInChI=1S/C22H23N5O2.ClH/c1-11-6-12(2)19-16(22(28)25-17(19)7-11)8-18-26-21(27-29-18)20-13(3)24-10-14-9-23-5-4-15(14)20;/h6-7,10,16,23H,4-5,8-9H2,1-3H3,(H,25,28);1H
InChIKeyDZMKIJKHPAWFRQ-UHFFFAOYSA-N
XLogP3.40
TPSA92.94 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.92
LogP ≤ 53.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 4,6-dimethyl-3-[[3-(3-methyl-5,6,7,8-tetrahydro-2,7-naphthyridin-4-yl)-1,2,4-oxadiazol-5-yl]methyl]-1,3-dihydroindol-2-one;hydrochloride with MolForge

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Related Compounds

5-(azocan-1-ylmethyl)-3-(3-methyl-5,6,7,8-tetrahydro-2,7-naphthyridin-4-yl)-1,2,4-oxadiazole;dihydrochloride
CID 166597715
1-[4-[[3-(3-methyl-5,6,7,8-tetrahydro-2,7-naphthyridin-4-yl)-1,2,4-oxadiazol-5-yl]methyl]thiophen-2-yl]ethanone;hydrochloride
CID 166597725
5-[[(1R,4R)-2-azabicyclo[2.2.1]heptan-2-yl]methyl]-3-(3-methyl-5,6,7,8-tetrahydro-2,7-naphthyridin-4-yl)-1,2,4-oxadiazole
CID 45210947
1-[4-[[3-(3-methyl-5,6,7,8-tetrahydro-2,7-naphthyridin-4-yl)-1,2,4-oxadiazol-5-yl]methyl]thiophen-2-yl]ethanone
CID 29183415
5-[3-(4-fluorophenyl)propyl]-3-(3-methyl-5,6,7,8-tetrahydro-2,7-naphthyridin-4-yl)-1,2,4-oxadiazole;hydrochloride
CID 166597798
3-(3-methyl-5,6,7,8-tetrahydro-2,7-naphthyridin-4-yl)-5-(2-pyrrolidin-1-ylethylsulfanylmethyl)-1,2,4-oxadiazole;dihydrochloride
CID 166597818
5-[2-(3-methoxy-4-methylphenyl)ethyl]-3-(3-methyl-5,6,7,8-tetrahydro-2,7-naphthyridin-4-yl)-1,2,4-oxadiazole
CID 28739121
5-(3,5-dimethylfuran-2-yl)-3-(3-methyl-5,6,7,8-tetrahydro-2,7-naphthyridin-4-yl)-1,2,4-oxadiazole;hydrochloride
CID 166597894
3-[[3-(3-methyl-5,6,7,8-tetrahydro-2,7-naphthyridin-4-yl)-1,2,4-oxadiazol-5-yl]methyl]-1,3-benzoxazol-2-one;hydrochloride
CID 166597718
5-[(2-ethyl-6-methyl-3-pyridinyl)oxymethyl]-3-(3-methyl-5,6,7,8-tetrahydro-2,7-naphthyridin-4-yl)-1,2,4-oxadiazole;dihydrochloride
CID 166597784
5-(3,5-dimethyl-1H-pyrazol-4-yl)-3-(3-methyl-5,6,7,8-tetrahydro-2,7-naphthyridin-4-yl)-1,2,4-oxadiazole;hydrochloride
CID 166597758
5-cyclohex-3-en-1-yl-3-(3-methyl-5,6,7,8-tetrahydro-2,7-naphthyridin-4-yl)-1,2,4-oxadiazole
CID 45247859

Frequently Asked Questions

What is the IUPAC name of 4,6-dimethyl-3-[[3-(3-methyl-5,6,7,8-tetrahydro-2,7-naphthyridin-4-yl)-1,2,4-oxadiazol-5-yl]methyl]-1,3-dihydroindol-2-one;hydrochloride?
The IUPAC name of 4,6-dimethyl-3-[[3-(3-methyl-5,6,7,8-tetrahydro-2,7-naphthyridin-4-yl)-1,2,4-oxadiazol-5-yl]methyl]-1,3-dihydroindol-2-one;hydrochloride (CID 171991722) is 4,6-dimethyl-3-[[3-(3-methyl-5,6,7,8-tetrahydro-2,7-naphthyridin-4-yl)-1,2,4-oxadiazol-5-yl]methyl]-1,3-dihydroindol-2-one;hydrochloride.
What is the SMILES notation for 4,6-dimethyl-3-[[3-(3-methyl-5,6,7,8-tetrahydro-2,7-naphthyridin-4-yl)-1,2,4-oxadiazol-5-yl]methyl]-1,3-dihydroindol-2-one;hydrochloride?
The canonical SMILES for 4,6-dimethyl-3-[[3-(3-methyl-5,6,7,8-tetrahydro-2,7-naphthyridin-4-yl)-1,2,4-oxadiazol-5-yl]methyl]-1,3-dihydroindol-2-one;hydrochloride is Cc1cc(C)c2c(c1)NC(=O)C2Cc1nc(-c2c(C)ncc3c2CCNC3)no1.Cl.
What is the InChIKey of 4,6-dimethyl-3-[[3-(3-methyl-5,6,7,8-tetrahydro-2,7-naphthyridin-4-yl)-1,2,4-oxadiazol-5-yl]methyl]-1,3-dihydroindol-2-one;hydrochloride?
The InChIKey is DZMKIJKHPAWFRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N5O2.ClH/c1-11-6-12(2)19-16(22(28)25-17(19)7-11)8-18-26-21(27-29-18)20-13(3)24-10-14-9-23-5-4-15(14)20;/h6-7,10,16,23H,4-5,8-9H2,1-3H3,(H,25,28);1H.
What are the key properties of 4,6-dimethyl-3-[[3-(3-methyl-5,6,7,8-tetrahydro-2,7-naphthyridin-4-yl)-1,2,4-oxadiazol-5-yl]methyl]-1,3-dihydroindol-2-one;hydrochloride?
4,6-dimethyl-3-[[3-(3-methyl-5,6,7,8-tetrahydro-2,7-naphthyridin-4-yl)-1,2,4-oxadiazol-5-yl]methyl]-1,3-dihydroindol-2-one;hydrochloride has a molecular weight of 425.92 g/mol, XLogP of 3.40, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dimethyl-3-[[3-(3-methyl-5,6,7,8-tetrahydro-2,7-naphthyridin-4-yl)-1,2,4-oxadiazol-5-yl]methyl]-1,3-dihydroindol-2-one;hydrochloride is sourced from PubChem (CID 171991722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).