5-[[4-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methyl]piperazin-1-yl]methyl]-3-(4-methylphenyl)-1,2,4-oxadiazole

C23H27N7O — CID 87015532

IUPAC5-[[4-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methyl]piperazin-1-yl]methyl]-3-(4-methylphenyl)-1,2,4-oxadiazole
SMILESCc1ccc(-c2noc(CN3CCN(Cc4cnc5c(c4)c(C)nn5C)CC3)n2)cc1
InChIInChI=1S/C23H27N7O/c1-16-4-6-19(7-5-16)22-25-21(31-27-22)15-30-10-8-29(9-11-30)14-18-12-20-17(2)26-28(3)23(20)24-13-18/h4-7,12-13H,8-11,14-15H2,1-3H3
InChIKeyMPHPNLUXOURQGP-UHFFFAOYSA-N
MW417.52 g/mol
LogP2.95
Rot. Bonds5

About 5-[[4-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methyl]piperazin-1-yl]methyl]-3-(4-methylphenyl)-1,2,4-oxadiazole

5-[[4-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methyl]piperazin-1-yl]methyl]-3-(4-methylphenyl)-1,2,4-oxadiazole (PubChem CID 87015532) has the molecular formula C23H27N7O and a molecular weight of 417.52 g/mol. Its IUPAC name is 5-[[4-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methyl]piperazin-1-yl]methyl]-3-(4-methylphenyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[[4-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methyl]piperazin-1-yl]methyl]-3-(4-methylphenyl)-1,2,4-oxadiazole
PubChem CID87015532
Molecular FormulaC23H27N7O
Molecular Weight417.52 g/mol
Exact Mass417.23
IUPAC Name5-[[4-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methyl]piperazin-1-yl]methyl]-3-(4-methylphenyl)-1,2,4-oxadiazole
SMILESCc1ccc(-c2noc(CN3CCN(Cc4cnc5c(c4)c(C)nn5C)CC3)n2)cc1
InChIInChI=1S/C23H27N7O/c1-16-4-6-19(7-5-16)22-25-21(31-27-22)15-30-10-8-29(9-11-30)14-18-12-20-17(2)26-28(3)23(20)24-13-18/h4-7,12-13H,8-11,14-15H2,1-3H3
InChIKeyMPHPNLUXOURQGP-UHFFFAOYSA-N
XLogP2.95
TPSA76.11 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.52
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 5-[[4-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methyl]piperazin-1-yl]methyl]-3-(4-methylphenyl)-1,2,4-oxadiazole with MolForge

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Related Compounds

3-(4-fluorophenyl)-5-[[4-[(3-methylphenyl)methyl]piperazin-1-yl]methyl]-1,2,4-oxadiazole
CID 30728444
3-(4-methylphenyl)-5-[[4-(2-phenoxyethyl)piperazin-1-yl]methyl]-1,2,4-oxadiazole
CID 47007090
3-(4-fluorophenyl)-5-[[4-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]methyl]-1,2,4-oxadiazole
CID 16618495
N-(2,6-dimethylphenyl)-2-[4-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methyl]piperazin-1-yl]acetamide
CID 87013788
1,3-dimethyl-6-[1-[[2-(4-methylphenyl)pyrimidin-5-yl]methyl]piperidin-4-yl]pyrazolo[5,4-b]pyridine
CID 92631648
2-[4-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]phenol
CID 27156351
3-(4-methoxyphenyl)-5-[[4-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]methyl]-1,2,4-oxadiazole
CID 55648707
3-(4-methylphenyl)-1-[4-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]propan-1-one
CID 16625869
5-[[4-[(2,5-dimethoxyphenyl)methyl]piperazin-1-yl]methyl]-3-(4-methylphenyl)-1,2,4-oxadiazole
CID 30986503
1,3-dimethyl-5-[[4-(2-nitrophenyl)piperazin-1-yl]methyl]pyrazolo[5,4-b]pyridine
CID 87013100
[4-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methyl]piperazin-1-yl]-(2-fluorophenyl)methanone
CID 87015876
2-amino-1-[4-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]ethanone;dihydrochloride
CID 119840001

Frequently Asked Questions

What is the IUPAC name of 5-[[4-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methyl]piperazin-1-yl]methyl]-3-(4-methylphenyl)-1,2,4-oxadiazole?
The IUPAC name of 5-[[4-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methyl]piperazin-1-yl]methyl]-3-(4-methylphenyl)-1,2,4-oxadiazole (CID 87015532) is 5-[[4-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methyl]piperazin-1-yl]methyl]-3-(4-methylphenyl)-1,2,4-oxadiazole.
What is the SMILES notation for 5-[[4-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methyl]piperazin-1-yl]methyl]-3-(4-methylphenyl)-1,2,4-oxadiazole?
The canonical SMILES for 5-[[4-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methyl]piperazin-1-yl]methyl]-3-(4-methylphenyl)-1,2,4-oxadiazole is Cc1ccc(-c2noc(CN3CCN(Cc4cnc5c(c4)c(C)nn5C)CC3)n2)cc1.
What is the InChIKey of 5-[[4-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methyl]piperazin-1-yl]methyl]-3-(4-methylphenyl)-1,2,4-oxadiazole?
The InChIKey is MPHPNLUXOURQGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N7O/c1-16-4-6-19(7-5-16)22-25-21(31-27-22)15-30-10-8-29(9-11-30)14-18-12-20-17(2)26-28(3)23(20)24-13-18/h4-7,12-13H,8-11,14-15H2,1-3H3.
What are the key properties of 5-[[4-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methyl]piperazin-1-yl]methyl]-3-(4-methylphenyl)-1,2,4-oxadiazole?
5-[[4-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methyl]piperazin-1-yl]methyl]-3-(4-methylphenyl)-1,2,4-oxadiazole has a molecular weight of 417.52 g/mol, XLogP of 2.95, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[4-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methyl]piperazin-1-yl]methyl]-3-(4-methylphenyl)-1,2,4-oxadiazole is sourced from PubChem (CID 87015532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).