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

C27H32N10O — CID 77476137

About 2-[2,6-dimethyl-4-[5-(1-methyltetrazol-5-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-(1-methyltetrazol-5-yl)-2-pyridinyl]piperazin-1-yl]-1-(2-phenyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl)ethanone (PubChem CID 77476137) has the molecular formula C27H32N10O and a molecular weight of 512.62 g/mol. Its IUPAC name is 2-[2,6-dimethyl-4-[5-(1-methyltetrazol-5-yl)-2-pyridinyl]piperazin-1-yl]-1-(2-phenyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl)ethanone.

Molecular Properties

• Compound Name: 2-[2,6-dimethyl-4-[5-(1-methyltetrazol-5-yl)-2-pyridinyl]piperazin-1-yl]-1-(2-phenyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl)ethanone
• PubChem CID: 77476137
• Molecular Formula: C27H32N10O
• Molecular Weight: 512.62 g/mol
• Exact Mass: 512.28
• IUPAC Name: 2-[2,6-dimethyl-4-[5-(1-methyltetrazol-5-yl)-2-pyridinyl]piperazin-1-yl]-1-(2-phenyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl)ethanone
• SMILES: CC1CN(c2ccc(-c3nnnn3C)cn2)CC(C)N1CC(=O)N1CCc2nn(-c3ccccc3)cc2C1
• InChI: InChI=1S/C27H32N10O/c1-19-14-35(25-10-9-21(13-28-25)27-29-31-32-33(27)3)15-20(2)36(19)18-26(38)34-12-11-24-22(16-34)17-37(30-24)23-7-5-4-6-8-23/h4-10,13,17,19-20H,11-12,14-16,18H2,1-3H3
• InChIKey: AWWNDHUWEIDLTG-UHFFFAOYSA-N
• XLogP: 1.94
• TPSA: 101.10 Ų
• H-Bond Acceptors: 10
• Rotatable Bonds: 5
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	512.62
LogP ≤ 5	1.94
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of 2-[2,6-dimethyl-4-[5-(1-methyltetrazol-5-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-(1-methyltetrazol-5-yl)-2-pyridinyl]piperazin-1-yl]-1-(2-phenyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl)ethanone (CID 77476137) is 2-[2,6-dimethyl-4-[5-(1-methyltetrazol-5-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-(1-methyltetrazol-5-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-(1-methyltetrazol-5-yl)-2-pyridinyl]piperazin-1-yl]-1-(2-phenyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl)ethanone is CC1CN(c2ccc(-c3nnnn3C)cn2)CC(C)N1CC(=O)N1CCc2nn(-c3ccccc3)cc2C1.

What is the InChIKey of 2-[2,6-dimethyl-4-[5-(1-methyltetrazol-5-yl)-2-pyridinyl]piperazin-1-yl]-1-(2-phenyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl)ethanone?

The InChIKey is AWWNDHUWEIDLTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H32N10O/c1-19-14-35(25-10-9-21(13-28-25)27-29-31-32-33(27)3)15-20(2)36(19)18-26(38)34-12-11-24-22(16-34)17-37(30-24)23-7-5-4-6-8-23/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-(1-methyltetrazol-5-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-(1-methyltetrazol-5-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 1.94, 5 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[2,6-dimethyl-4-[5-(1-methyltetrazol-5-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 77476137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).