1-[3-[2-(1-methylpyrazol-4-yl)-3,4-dihydro-1H-isoquinolin-5-yl]-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]propan-1-one

C27H34N6O2 — CID 158510140

IUPAC1-[3-[2-(1-methylpyrazol-4-yl)-3,4-dihydro-1H-isoquinolin-5-yl]-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]propan-1-one
SMILESCCC(=O)N1CCc2c(c(-c3cccc4c3CCN(c3cnn(C)c3)C4)nn2C2CCOCC2)C1
InChIInChI=1S/C27H34N6O2/c1-3-26(34)32-12-8-25-24(18-32)27(29-33(25)20-9-13-35-14-10-20)23-6-4-5-19-16-31(11-7-22(19)23)21-15-28-30(2)17-21/h4-6,15,17,20H,3,7-14,16,18H2,1-2H3
InChIKeyHKYGYVAILHDGFG-UHFFFAOYSA-N
MW474.61 g/mol
LogP3.49
Rot. Bonds4

About 1-[3-[2-(1-methylpyrazol-4-yl)-3,4-dihydro-1H-isoquinolin-5-yl]-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]propan-1-one

1-[3-[2-(1-methylpyrazol-4-yl)-3,4-dihydro-1H-isoquinolin-5-yl]-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]propan-1-one (PubChem CID 158510140) has the molecular formula C27H34N6O2 and a molecular weight of 474.61 g/mol. Its IUPAC name is 1-[3-[2-(1-methylpyrazol-4-yl)-3,4-dihydro-1H-isoquinolin-5-yl]-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]propan-1-one.

Molecular Properties

Compound Name1-[3-[2-(1-methylpyrazol-4-yl)-3,4-dihydro-1H-isoquinolin-5-yl]-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]propan-1-one
PubChem CID158510140
Molecular FormulaC27H34N6O2
Molecular Weight474.61 g/mol
Exact Mass474.27
IUPAC Name1-[3-[2-(1-methylpyrazol-4-yl)-3,4-dihydro-1H-isoquinolin-5-yl]-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]propan-1-one
SMILESCCC(=O)N1CCc2c(c(-c3cccc4c3CCN(c3cnn(C)c3)C4)nn2C2CCOCC2)C1
InChIInChI=1S/C27H34N6O2/c1-3-26(34)32-12-8-25-24(18-32)27(29-33(25)20-9-13-35-14-10-20)23-6-4-5-19-16-31(11-7-22(19)23)21-15-28-30(2)17-21/h4-6,15,17,20H,3,7-14,16,18H2,1-2H3
InChIKeyHKYGYVAILHDGFG-UHFFFAOYSA-N
XLogP3.49
TPSA68.42 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.61
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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

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Frequently Asked Questions

What is the IUPAC name of 1-[3-[2-(1-methylpyrazol-4-yl)-3,4-dihydro-1H-isoquinolin-5-yl]-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]propan-1-one?
The IUPAC name of 1-[3-[2-(1-methylpyrazol-4-yl)-3,4-dihydro-1H-isoquinolin-5-yl]-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]propan-1-one (CID 158510140) is 1-[3-[2-(1-methylpyrazol-4-yl)-3,4-dihydro-1H-isoquinolin-5-yl]-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]propan-1-one.
What is the SMILES notation for 1-[3-[2-(1-methylpyrazol-4-yl)-3,4-dihydro-1H-isoquinolin-5-yl]-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]propan-1-one?
The canonical SMILES for 1-[3-[2-(1-methylpyrazol-4-yl)-3,4-dihydro-1H-isoquinolin-5-yl]-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]propan-1-one is CCC(=O)N1CCc2c(c(-c3cccc4c3CCN(c3cnn(C)c3)C4)nn2C2CCOCC2)C1.
What is the InChIKey of 1-[3-[2-(1-methylpyrazol-4-yl)-3,4-dihydro-1H-isoquinolin-5-yl]-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]propan-1-one?
The InChIKey is HKYGYVAILHDGFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H34N6O2/c1-3-26(34)32-12-8-25-24(18-32)27(29-33(25)20-9-13-35-14-10-20)23-6-4-5-19-16-31(11-7-22(19)23)21-15-28-30(2)17-21/h4-6,15,17,20H,3,7-14,16,18H2,1-2H3.
What are the key properties of 1-[3-[2-(1-methylpyrazol-4-yl)-3,4-dihydro-1H-isoquinolin-5-yl]-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]propan-1-one?
1-[3-[2-(1-methylpyrazol-4-yl)-3,4-dihydro-1H-isoquinolin-5-yl]-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]propan-1-one has a molecular weight of 474.61 g/mol, XLogP of 3.49, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[2-(1-methylpyrazol-4-yl)-3,4-dihydro-1H-isoquinolin-5-yl]-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]propan-1-one is sourced from PubChem (CID 158510140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).