2-[2,6-dimethyl-4-[5-(5-methyl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]piperazin-1-yl]-1-(2-phenyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl)ethanone

C28H32N8O2 — CID 77263735

IUPAC2-[2,6-dimethyl-4-[5-(5-methyl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]piperazin-1-yl]-1-(2-phenyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl)ethanone
SMILESCc1nc(-c2ccc(N3CC(C)N(CC(=O)N4CCc5nn(-c6ccccc6)cc5C4)C(C)C3)nc2)no1
InChIInChI=1S/C28H32N8O2/c1-19-14-34(26-10-9-22(13-29-26)28-30-21(3)38-32-28)15-20(2)35(19)18-27(37)33-12-11-25-23(16-33)17-36(31-25)24-7-5-4-6-8-24/h4-10,13,17,19-20H,11-12,14-16,18H2,1-3H3
InChIKeyGFJDZZAHYUPDIZ-UHFFFAOYSA-N
MW512.62 g/mol
LogP3.11
Rot. Bonds5

About 2-[2,6-dimethyl-4-[5-(5-methyl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]piperazin-1-yl]-1-(2-phenyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl)ethanone

2-[2,6-dimethyl-4-[5-(5-methyl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]piperazin-1-yl]-1-(2-phenyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl)ethanone (PubChem CID 77263735) has the molecular formula C28H32N8O2 and a molecular weight of 512.62 g/mol. Its IUPAC name is 2-[2,6-dimethyl-4-[5-(5-methyl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]piperazin-1-yl]-1-(2-phenyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl)ethanone.

Molecular Properties

Compound Name2-[2,6-dimethyl-4-[5-(5-methyl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]piperazin-1-yl]-1-(2-phenyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl)ethanone
PubChem CID77263735
Molecular FormulaC28H32N8O2
Molecular Weight512.62 g/mol
Exact Mass512.26
IUPAC Name2-[2,6-dimethyl-4-[5-(5-methyl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]piperazin-1-yl]-1-(2-phenyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl)ethanone
SMILESCc1nc(-c2ccc(N3CC(C)N(CC(=O)N4CCc5nn(-c6ccccc6)cc5C4)C(C)C3)nc2)no1
InChIInChI=1S/C28H32N8O2/c1-19-14-34(26-10-9-22(13-29-26)28-30-21(3)38-32-28)15-20(2)35(19)18-27(37)33-12-11-25-23(16-33)17-36(31-25)24-7-5-4-6-8-24/h4-10,13,17,19-20H,11-12,14-16,18H2,1-3H3
InChIKeyGFJDZZAHYUPDIZ-UHFFFAOYSA-N
XLogP3.11
TPSA96.42 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500512.62
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze 2-[2,6-dimethyl-4-[5-(5-methyl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]piperazin-1-yl]-1-(2-phenyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl)ethanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[2,6-dimethyl-4-[5-(5-methyl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]piperazin-1-yl]-1-(2-phenyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl)ethanone?
The IUPAC name of 2-[2,6-dimethyl-4-[5-(5-methyl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]piperazin-1-yl]-1-(2-phenyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl)ethanone (CID 77263735) is 2-[2,6-dimethyl-4-[5-(5-methyl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]piperazin-1-yl]-1-(2-phenyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl)ethanone.
What is the SMILES notation for 2-[2,6-dimethyl-4-[5-(5-methyl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]piperazin-1-yl]-1-(2-phenyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl)ethanone?
The canonical SMILES for 2-[2,6-dimethyl-4-[5-(5-methyl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]piperazin-1-yl]-1-(2-phenyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl)ethanone is Cc1nc(-c2ccc(N3CC(C)N(CC(=O)N4CCc5nn(-c6ccccc6)cc5C4)C(C)C3)nc2)no1.
What is the InChIKey of 2-[2,6-dimethyl-4-[5-(5-methyl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]piperazin-1-yl]-1-(2-phenyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl)ethanone?
The InChIKey is GFJDZZAHYUPDIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H32N8O2/c1-19-14-34(26-10-9-22(13-29-26)28-30-21(3)38-32-28)15-20(2)35(19)18-27(37)33-12-11-25-23(16-33)17-36(31-25)24-7-5-4-6-8-24/h4-10,13,17,19-20H,11-12,14-16,18H2,1-3H3.
What are the key properties of 2-[2,6-dimethyl-4-[5-(5-methyl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]piperazin-1-yl]-1-(2-phenyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl)ethanone?
2-[2,6-dimethyl-4-[5-(5-methyl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]piperazin-1-yl]-1-(2-phenyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl)ethanone has a molecular weight of 512.62 g/mol, XLogP of 3.11, 5 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2,6-dimethyl-4-[5-(5-methyl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]piperazin-1-yl]-1-(2-phenyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl)ethanone is sourced from PubChem (CID 77263735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).