deuterio(fluoro)methane;2-phenoxy-1-(3-phenyl-1-propan-2-yl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl)ethanone;2-phenoxy-1-(3-phenyl-2-propan-2-yl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl)ethanone;2-phenoxy-1-(3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)ethanone

C67H72FN9O6 — CID 160628484

IUPACdeuterio(fluoro)methane;2-phenoxy-1-(3-phenyl-1-propan-2-yl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl)ethanone;2-phenoxy-1-(3-phenyl-2-propan-2-yl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl)ethanone;2-phenoxy-1-(3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)ethanone
SMILESCC(C)n1nc(-c2ccccc2)c2c1CCN(C(=O)COc1ccccc1)C2.CC(C)n1nc2c(c1-c1ccccc1)CN(C(=O)COc1ccccc1)CC2.O=C(COc1ccccc1)N1CCc2[nH]nc(-c3ccccc3)c2C1.[2H]CF
InChIInChI=1S/2C23H25N3O2.C20H19N3O2.CH3F/c1-17(2)26-21-13-14-25(22(27)16-28-19-11-7-4-8-12-19)15-20(21)23(24-26)18-9-5-3-6-10-18;1-17(2)26-23(18-9-5-3-6-10-18)20-15-25(14-13-21(20)24-26)22(27)16-28-19-11-7-4-8-12-19;24-19(14-25-16-9-5-2-6-10-16)23-12-11-18-17(13-23)20(22-21-18)15-7-3-1-4-8-15;1-2/h2*3-12,17H,13-16H2,1-2H3;1-10H,11-14H2,(H,21,22);1H3/i;;;1D
InChIKeyRHPPTEHFWKHORR-PBJKEDEQSA-N
MW1119.37 g/mol
LogP11.82
Rot. Bonds14

About deuterio(fluoro)methane;2-phenoxy-1-(3-phenyl-1-propan-2-yl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl)ethanone;2-phenoxy-1-(3-phenyl-2-propan-2-yl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl)ethanone;2-phenoxy-1-(3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)ethanone

deuterio(fluoro)methane;2-phenoxy-1-(3-phenyl-1-propan-2-yl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl)ethanone;2-phenoxy-1-(3-phenyl-2-propan-2-yl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl)ethanone;2-phenoxy-1-(3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)ethanone (PubChem CID 160628484) has the molecular formula C67H72FN9O6 and a molecular weight of 1119.37 g/mol. Its IUPAC name is deuterio(fluoro)methane;2-phenoxy-1-(3-phenyl-1-propan-2-yl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl)ethanone;2-phenoxy-1-(3-phenyl-2-propan-2-yl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl)ethanone;2-phenoxy-1-(3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)ethanone.

Molecular Properties

Compound Namedeuterio(fluoro)methane;2-phenoxy-1-(3-phenyl-1-propan-2-yl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl)ethanone;2-phenoxy-1-(3-phenyl-2-propan-2-yl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl)ethanone;2-phenoxy-1-(3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)ethanone
PubChem CID160628484
Molecular FormulaC67H72FN9O6
Molecular Weight1119.37 g/mol
Exact Mass1118.57
IUPAC Namedeuterio(fluoro)methane;2-phenoxy-1-(3-phenyl-1-propan-2-yl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl)ethanone;2-phenoxy-1-(3-phenyl-2-propan-2-yl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl)ethanone;2-phenoxy-1-(3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)ethanone
SMILESCC(C)n1nc(-c2ccccc2)c2c1CCN(C(=O)COc1ccccc1)C2.CC(C)n1nc2c(c1-c1ccccc1)CN(C(=O)COc1ccccc1)CC2.O=C(COc1ccccc1)N1CCc2[nH]nc(-c3ccccc3)c2C1.[2H]CF
InChIInChI=1S/2C23H25N3O2.C20H19N3O2.CH3F/c1-17(2)26-21-13-14-25(22(27)16-28-19-11-7-4-8-12-19)15-20(21)23(24-26)18-9-5-3-6-10-18;1-17(2)26-23(18-9-5-3-6-10-18)20-15-25(14-13-21(20)24-26)22(27)16-28-19-11-7-4-8-12-19;24-19(14-25-16-9-5-2-6-10-16)23-12-11-18-17(13-23)20(22-21-18)15-7-3-1-4-8-15;1-2/h2*3-12,17H,13-16H2,1-2H3;1-10H,11-14H2,(H,21,22);1H3/i;;;1D
InChIKeyRHPPTEHFWKHORR-PBJKEDEQSA-N
XLogP11.82
TPSA152.94 Ų
H-Bond Donors1
H-Bond Acceptors11
Rotatable Bonds14
Heavy Atoms83
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001119.37
LogP ≤ 511.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1011

Analyze deuterio(fluoro)methane;2-phenoxy-1-(3-phenyl-1-propan-2-yl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl)ethanone;2-phenoxy-1-(3-phenyl-2-propan-2-yl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl)ethanone;2-phenoxy-1-(3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)ethanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of deuterio(fluoro)methane;2-phenoxy-1-(3-phenyl-1-propan-2-yl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl)ethanone;2-phenoxy-1-(3-phenyl-2-propan-2-yl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl)ethanone;2-phenoxy-1-(3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)ethanone?
The IUPAC name of deuterio(fluoro)methane;2-phenoxy-1-(3-phenyl-1-propan-2-yl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl)ethanone;2-phenoxy-1-(3-phenyl-2-propan-2-yl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl)ethanone;2-phenoxy-1-(3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)ethanone (CID 160628484) is deuterio(fluoro)methane;2-phenoxy-1-(3-phenyl-1-propan-2-yl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl)ethanone;2-phenoxy-1-(3-phenyl-2-propan-2-yl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl)ethanone;2-phenoxy-1-(3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)ethanone.
What is the SMILES notation for deuterio(fluoro)methane;2-phenoxy-1-(3-phenyl-1-propan-2-yl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl)ethanone;2-phenoxy-1-(3-phenyl-2-propan-2-yl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl)ethanone;2-phenoxy-1-(3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)ethanone?
The canonical SMILES for deuterio(fluoro)methane;2-phenoxy-1-(3-phenyl-1-propan-2-yl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl)ethanone;2-phenoxy-1-(3-phenyl-2-propan-2-yl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl)ethanone;2-phenoxy-1-(3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)ethanone is CC(C)n1nc(-c2ccccc2)c2c1CCN(C(=O)COc1ccccc1)C2.CC(C)n1nc2c(c1-c1ccccc1)CN(C(=O)COc1ccccc1)CC2.O=C(COc1ccccc1)N1CCc2[nH]nc(-c3ccccc3)c2C1.[2H]CF.
What is the InChIKey of deuterio(fluoro)methane;2-phenoxy-1-(3-phenyl-1-propan-2-yl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl)ethanone;2-phenoxy-1-(3-phenyl-2-propan-2-yl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl)ethanone;2-phenoxy-1-(3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)ethanone?
The InChIKey is RHPPTEHFWKHORR-PBJKEDEQSA-N. The full InChI is InChI=1S/2C23H25N3O2.C20H19N3O2.CH3F/c1-17(2)26-21-13-14-25(22(27)16-28-19-11-7-4-8-12-19)15-20(21)23(24-26)18-9-5-3-6-10-18;1-17(2)26-23(18-9-5-3-6-10-18)20-15-25(14-13-21(20)24-26)22(27)16-28-19-11-7-4-8-12-19;24-19(14-25-16-9-5-2-6-10-16)23-12-11-18-17(13-23)20(22-21-18)15-7-3-1-4-8-15;1-2/h2*3-12,17H,13-16H2,1-2H3;1-10H,11-14H2,(H,21,22);1H3/i;;;1D.
What are the key properties of deuterio(fluoro)methane;2-phenoxy-1-(3-phenyl-1-propan-2-yl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl)ethanone;2-phenoxy-1-(3-phenyl-2-propan-2-yl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl)ethanone;2-phenoxy-1-(3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)ethanone?
deuterio(fluoro)methane;2-phenoxy-1-(3-phenyl-1-propan-2-yl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl)ethanone;2-phenoxy-1-(3-phenyl-2-propan-2-yl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl)ethanone;2-phenoxy-1-(3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)ethanone has a molecular weight of 1119.37 g/mol, XLogP of 11.82, 14 rotatable bonds, 1 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for deuterio(fluoro)methane;2-phenoxy-1-(3-phenyl-1-propan-2-yl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl)ethanone;2-phenoxy-1-(3-phenyl-2-propan-2-yl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl)ethanone;2-phenoxy-1-(3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)ethanone is sourced from PubChem (CID 160628484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).