1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(1-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl)phenoxy]propan-2-ol

C25H30N4O2 — CID 86729281

IUPAC1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(1-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl)phenoxy]propan-2-ol
SMILESCn1ncc2c1CN(c1cccc(OCC(O)CN3CCc4ccccc4C3)c1)CC2
InChIInChI=1S/C25H30N4O2/c1-27-25-17-29(12-10-20(25)14-26-27)22-7-4-8-24(13-22)31-18-23(30)16-28-11-9-19-5-2-3-6-21(19)15-28/h2-8,13-14,23,30H,9-12,15-18H2,1H3
InChIKeyRZVSWRPEPYAQTE-UHFFFAOYSA-N
MW418.54 g/mol
LogP2.78
Rot. Bonds6

About 1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(1-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl)phenoxy]propan-2-ol

1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(1-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl)phenoxy]propan-2-ol (PubChem CID 86729281) has the molecular formula C25H30N4O2 and a molecular weight of 418.54 g/mol. Its IUPAC name is 1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(1-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl)phenoxy]propan-2-ol.

Molecular Properties

Compound Name1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(1-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl)phenoxy]propan-2-ol
PubChem CID86729281
Molecular FormulaC25H30N4O2
Molecular Weight418.54 g/mol
Exact Mass418.24
IUPAC Name1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(1-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl)phenoxy]propan-2-ol
SMILESCn1ncc2c1CN(c1cccc(OCC(O)CN3CCc4ccccc4C3)c1)CC2
InChIInChI=1S/C25H30N4O2/c1-27-25-17-29(12-10-20(25)14-26-27)22-7-4-8-24(13-22)31-18-23(30)16-28-11-9-19-5-2-3-6-21(19)15-28/h2-8,13-14,23,30H,9-12,15-18H2,1H3
InChIKeyRZVSWRPEPYAQTE-UHFFFAOYSA-N
XLogP2.78
TPSA53.76 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.54
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(1-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl)phenoxy]propan-2-ol with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(1-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl)phenoxy]propan-2-ol?
The IUPAC name of 1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(1-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl)phenoxy]propan-2-ol (CID 86729281) is 1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(1-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl)phenoxy]propan-2-ol.
What is the SMILES notation for 1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(1-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl)phenoxy]propan-2-ol?
The canonical SMILES for 1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(1-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl)phenoxy]propan-2-ol is Cn1ncc2c1CN(c1cccc(OCC(O)CN3CCc4ccccc4C3)c1)CC2.
What is the InChIKey of 1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(1-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl)phenoxy]propan-2-ol?
The InChIKey is RZVSWRPEPYAQTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N4O2/c1-27-25-17-29(12-10-20(25)14-26-27)22-7-4-8-24(13-22)31-18-23(30)16-28-11-9-19-5-2-3-6-21(19)15-28/h2-8,13-14,23,30H,9-12,15-18H2,1H3.
What are the key properties of 1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(1-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl)phenoxy]propan-2-ol?
1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(1-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl)phenoxy]propan-2-ol has a molecular weight of 418.54 g/mol, XLogP of 2.78, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(1-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl)phenoxy]propan-2-ol is sourced from PubChem (CID 86729281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).