1-[[5-ethyl-1-(2-methoxyphenyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]methyl-methylamino]-3-methylbutan-2-ol

C22H34N4O2 — CID 42806508

About 1-[[5-ethyl-1-(2-methoxyphenyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]methyl-methylamino]-3-methylbutan-2-ol

1-[[5-ethyl-1-(2-methoxyphenyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]methyl-methylamino]-3-methylbutan-2-ol (PubChem CID 42806508) has the molecular formula C22H34N4O2 and a molecular weight of 386.54 g/mol. Its IUPAC name is 1-[[5-ethyl-1-(2-methoxyphenyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]methyl-methylamino]-3-methylbutan-2-ol.

Molecular Properties

• Compound Name: 1-[[5-ethyl-1-(2-methoxyphenyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]methyl-methylamino]-3-methylbutan-2-ol
• PubChem CID: 42806508
• Molecular Formula: C22H34N4O2
• Molecular Weight: 386.54 g/mol
• Exact Mass: 386.27
• IUPAC Name: 1-[[5-ethyl-1-(2-methoxyphenyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]methyl-methylamino]-3-methylbutan-2-ol
• SMILES: CCN1CCc2c(c(CN(C)CC(O)C(C)C)nn2-c2ccccc2OC)C1
• InChI: InChI=1S/C22H34N4O2/c1-6-25-12-11-19-17(13-25)18(14-24(4)15-21(27)16(2)3)23-26(19)20-9-7-8-10-22(20)28-5/h7-10,16,21,27H,6,11-15H2,1-5H3
• InChIKey: RDTWXFFDQOGOFA-UHFFFAOYSA-N
• XLogP: 2.71
• TPSA: 53.76 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	386.54
LogP ≤ 5	2.71
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 1-[[5-ethyl-1-(2-methoxyphenyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]methyl-methylamino]-3-methylbutan-2-ol?

The IUPAC name of 1-[[5-ethyl-1-(2-methoxyphenyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]methyl-methylamino]-3-methylbutan-2-ol (CID 42806508) is 1-[[5-ethyl-1-(2-methoxyphenyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]methyl-methylamino]-3-methylbutan-2-ol.

What is the SMILES notation for 1-[[5-ethyl-1-(2-methoxyphenyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]methyl-methylamino]-3-methylbutan-2-ol?

The canonical SMILES for 1-[[5-ethyl-1-(2-methoxyphenyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]methyl-methylamino]-3-methylbutan-2-ol is CCN1CCc2c(c(CN(C)CC(O)C(C)C)nn2-c2ccccc2OC)C1.

What is the InChIKey of 1-[[5-ethyl-1-(2-methoxyphenyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]methyl-methylamino]-3-methylbutan-2-ol?

The InChIKey is RDTWXFFDQOGOFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H34N4O2/c1-6-25-12-11-19-17(13-25)18(14-24(4)15-21(27)16(2)3)23-26(19)20-9-7-8-10-22(20)28-5/h7-10,16,21,27H,6,11-15H2,1-5H3.

What are the key properties of 1-[[5-ethyl-1-(2-methoxyphenyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]methyl-methylamino]-3-methylbutan-2-ol?

1-[[5-ethyl-1-(2-methoxyphenyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]methyl-methylamino]-3-methylbutan-2-ol has a molecular weight of 386.54 g/mol, XLogP of 2.71, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[[5-ethyl-1-(2-methoxyphenyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]methyl-methylamino]-3-methylbutan-2-ol is sourced from PubChem (CID 42806508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).