(2R)-3-[4-[1-[4-[(3-fluoro-4-methyl-2-pyridinyl)oxy]cyclohexyl]-6-(1,1,2,2,2-pentadeuterioethylamino)pyrazolo[4,3-c]pyridin-3-yl]pyrazol-1-yl]propane-1,2-diol

C26H32FN7O3 — CID 163965373

IUPAC(2R)-3-[4-[1-[4-[(3-fluoro-4-methyl-2-pyridinyl)oxy]cyclohexyl]-6-(1,1,2,2,2-pentadeuterioethylamino)pyrazolo[4,3-c]pyridin-3-yl]pyrazol-1-yl]propane-1,2-diol
SMILES[2H]C([2H])([2H])C([2H])([2H])Nc1cc2c(cn1)c(-c1cnn(C[C@@H](O)CO)c1)nn2C1CCC(Oc2nccc(C)c2F)CC1
InChIInChI=1S/C26H32FN7O3/c1-3-28-23-10-22-21(12-30-23)25(17-11-31-33(13-17)14-19(36)15-35)32-34(22)18-4-6-20(7-5-18)37-26-24(27)16(2)8-9-29-26/h8-13,18-20,35-36H,3-7,14-15H2,1-2H3,(H,28,30)/t18?,19-,20?/m1/s1/i1D3,3D2
InChIKeySLFPIBIQSWNDHM-GTXDCWQNSA-N
MW514.62 g/mol
LogP3.49
Rot. Bonds10

About (2R)-3-[4-[1-[4-[(3-fluoro-4-methyl-2-pyridinyl)oxy]cyclohexyl]-6-(1,1,2,2,2-pentadeuterioethylamino)pyrazolo[4,3-c]pyridin-3-yl]pyrazol-1-yl]propane-1,2-diol

(2R)-3-[4-[1-[4-[(3-fluoro-4-methyl-2-pyridinyl)oxy]cyclohexyl]-6-(1,1,2,2,2-pentadeuterioethylamino)pyrazolo[4,3-c]pyridin-3-yl]pyrazol-1-yl]propane-1,2-diol (PubChem CID 163965373) has the molecular formula C26H32FN7O3 and a molecular weight of 514.62 g/mol. Its IUPAC name is (2R)-3-[4-[1-[4-[(3-fluoro-4-methyl-2-pyridinyl)oxy]cyclohexyl]-6-(1,1,2,2,2-pentadeuterioethylamino)pyrazolo[4,3-c]pyridin-3-yl]pyrazol-1-yl]propane-1,2-diol.

Molecular Properties

Compound Name(2R)-3-[4-[1-[4-[(3-fluoro-4-methyl-2-pyridinyl)oxy]cyclohexyl]-6-(1,1,2,2,2-pentadeuterioethylamino)pyrazolo[4,3-c]pyridin-3-yl]pyrazol-1-yl]propane-1,2-diol
PubChem CID163965373
Molecular FormulaC26H32FN7O3
Molecular Weight514.62 g/mol
Exact Mass514.29
IUPAC Name(2R)-3-[4-[1-[4-[(3-fluoro-4-methyl-2-pyridinyl)oxy]cyclohexyl]-6-(1,1,2,2,2-pentadeuterioethylamino)pyrazolo[4,3-c]pyridin-3-yl]pyrazol-1-yl]propane-1,2-diol
SMILES[2H]C([2H])([2H])C([2H])([2H])Nc1cc2c(cn1)c(-c1cnn(C[C@@H](O)CO)c1)nn2C1CCC(Oc2nccc(C)c2F)CC1
InChIInChI=1S/C26H32FN7O3/c1-3-28-23-10-22-21(12-30-23)25(17-11-31-33(13-17)14-19(36)15-35)32-34(22)18-4-6-20(7-5-18)37-26-24(27)16(2)8-9-29-26/h8-13,18-20,35-36H,3-7,14-15H2,1-2H3,(H,28,30)/t18?,19-,20?/m1/s1/i1D3,3D2
InChIKeySLFPIBIQSWNDHM-GTXDCWQNSA-N
XLogP3.49
TPSA123.14 Ų
H-Bond Donors3
H-Bond Acceptors10
Rotatable Bonds10
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500514.62
LogP ≤ 53.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1010

Analyze (2R)-3-[4-[1-[4-[(3-fluoro-4-methyl-2-pyridinyl)oxy]cyclohexyl]-6-(1,1,2,2,2-pentadeuterioethylamino)pyrazolo[4,3-c]pyridin-3-yl]pyrazol-1-yl]propane-1,2-diol with MolForge

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Frequently Asked Questions

What is the IUPAC name of (2R)-3-[4-[1-[4-[(3-fluoro-4-methyl-2-pyridinyl)oxy]cyclohexyl]-6-(1,1,2,2,2-pentadeuterioethylamino)pyrazolo[4,3-c]pyridin-3-yl]pyrazol-1-yl]propane-1,2-diol?
The IUPAC name of (2R)-3-[4-[1-[4-[(3-fluoro-4-methyl-2-pyridinyl)oxy]cyclohexyl]-6-(1,1,2,2,2-pentadeuterioethylamino)pyrazolo[4,3-c]pyridin-3-yl]pyrazol-1-yl]propane-1,2-diol (CID 163965373) is (2R)-3-[4-[1-[4-[(3-fluoro-4-methyl-2-pyridinyl)oxy]cyclohexyl]-6-(1,1,2,2,2-pentadeuterioethylamino)pyrazolo[4,3-c]pyridin-3-yl]pyrazol-1-yl]propane-1,2-diol.
What is the SMILES notation for (2R)-3-[4-[1-[4-[(3-fluoro-4-methyl-2-pyridinyl)oxy]cyclohexyl]-6-(1,1,2,2,2-pentadeuterioethylamino)pyrazolo[4,3-c]pyridin-3-yl]pyrazol-1-yl]propane-1,2-diol?
The canonical SMILES for (2R)-3-[4-[1-[4-[(3-fluoro-4-methyl-2-pyridinyl)oxy]cyclohexyl]-6-(1,1,2,2,2-pentadeuterioethylamino)pyrazolo[4,3-c]pyridin-3-yl]pyrazol-1-yl]propane-1,2-diol is [2H]C([2H])([2H])C([2H])([2H])Nc1cc2c(cn1)c(-c1cnn(C[C@@H](O)CO)c1)nn2C1CCC(Oc2nccc(C)c2F)CC1.
What is the InChIKey of (2R)-3-[4-[1-[4-[(3-fluoro-4-methyl-2-pyridinyl)oxy]cyclohexyl]-6-(1,1,2,2,2-pentadeuterioethylamino)pyrazolo[4,3-c]pyridin-3-yl]pyrazol-1-yl]propane-1,2-diol?
The InChIKey is SLFPIBIQSWNDHM-GTXDCWQNSA-N. The full InChI is InChI=1S/C26H32FN7O3/c1-3-28-23-10-22-21(12-30-23)25(17-11-31-33(13-17)14-19(36)15-35)32-34(22)18-4-6-20(7-5-18)37-26-24(27)16(2)8-9-29-26/h8-13,18-20,35-36H,3-7,14-15H2,1-2H3,(H,28,30)/t18?,19-,20?/m1/s1/i1D3,3D2.
What are the key properties of (2R)-3-[4-[1-[4-[(3-fluoro-4-methyl-2-pyridinyl)oxy]cyclohexyl]-6-(1,1,2,2,2-pentadeuterioethylamino)pyrazolo[4,3-c]pyridin-3-yl]pyrazol-1-yl]propane-1,2-diol?
(2R)-3-[4-[1-[4-[(3-fluoro-4-methyl-2-pyridinyl)oxy]cyclohexyl]-6-(1,1,2,2,2-pentadeuterioethylamino)pyrazolo[4,3-c]pyridin-3-yl]pyrazol-1-yl]propane-1,2-diol has a molecular weight of 514.62 g/mol, XLogP of 3.49, 10 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-3-[4-[1-[4-[(3-fluoro-4-methyl-2-pyridinyl)oxy]cyclohexyl]-6-(1,1,2,2,2-pentadeuterioethylamino)pyrazolo[4,3-c]pyridin-3-yl]pyrazol-1-yl]propane-1,2-diol is sourced from PubChem (CID 163965373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).