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

C26H32FN7O3 — CID 138715423

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

(2S)-3-[4-[6-(ethylamino)-1-[4-[(3-fluoro-4-methyl-2-pyridinyl)oxy]cyclohexyl]pyrazolo[4,3-c]pyridin-3-yl]pyrazol-1-yl]propane-1,2-diol (PubChem CID 138715423) has the molecular formula C26H32FN7O3 and a molecular weight of 509.59 g/mol. Its IUPAC name is (2S)-3-[4-[6-(ethylamino)-1-[4-[(3-fluoro-4-methyl-2-pyridinyl)oxy]cyclohexyl]pyrazolo[4,3-c]pyridin-3-yl]pyrazol-1-yl]propane-1,2-diol.

Molecular Properties

• Compound Name: (2S)-3-[4-[6-(ethylamino)-1-[4-[(3-fluoro-4-methyl-2-pyridinyl)oxy]cyclohexyl]pyrazolo[4,3-c]pyridin-3-yl]pyrazol-1-yl]propane-1,2-diol
• PubChem CID: 138715423
• Molecular Formula: C26H32FN7O3
• Molecular Weight: 509.59 g/mol
• Exact Mass: 509.26
• IUPAC Name: (2S)-3-[4-[6-(ethylamino)-1-[4-[(3-fluoro-4-methyl-2-pyridinyl)oxy]cyclohexyl]pyrazolo[4,3-c]pyridin-3-yl]pyrazol-1-yl]propane-1,2-diol
• SMILES: CCNc1cc2c(cn1)c(-c1cnn(C[C@H](O)CO)c1)nn2C1CCC(Oc2nccc(C)c2F)CC1
• InChI: 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?/m0/s1
• InChIKey: SLFPIBIQSWNDHM-GPJFCIFZSA-N
• XLogP: 3.49
• TPSA: 123.14 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 10
• Rotatable Bonds: 9
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	509.59
LogP ≤ 5	3.49
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of (2S)-3-[4-[6-(ethylamino)-1-[4-[(3-fluoro-4-methyl-2-pyridinyl)oxy]cyclohexyl]pyrazolo[4,3-c]pyridin-3-yl]pyrazol-1-yl]propane-1,2-diol?

The IUPAC name of (2S)-3-[4-[6-(ethylamino)-1-[4-[(3-fluoro-4-methyl-2-pyridinyl)oxy]cyclohexyl]pyrazolo[4,3-c]pyridin-3-yl]pyrazol-1-yl]propane-1,2-diol (CID 138715423) is (2S)-3-[4-[6-(ethylamino)-1-[4-[(3-fluoro-4-methyl-2-pyridinyl)oxy]cyclohexyl]pyrazolo[4,3-c]pyridin-3-yl]pyrazol-1-yl]propane-1,2-diol.

What is the SMILES notation for (2S)-3-[4-[6-(ethylamino)-1-[4-[(3-fluoro-4-methyl-2-pyridinyl)oxy]cyclohexyl]pyrazolo[4,3-c]pyridin-3-yl]pyrazol-1-yl]propane-1,2-diol?

The canonical SMILES for (2S)-3-[4-[6-(ethylamino)-1-[4-[(3-fluoro-4-methyl-2-pyridinyl)oxy]cyclohexyl]pyrazolo[4,3-c]pyridin-3-yl]pyrazol-1-yl]propane-1,2-diol is CCNc1cc2c(cn1)c(-c1cnn(C[C@H](O)CO)c1)nn2C1CCC(Oc2nccc(C)c2F)CC1.

What is the InChIKey of (2S)-3-[4-[6-(ethylamino)-1-[4-[(3-fluoro-4-methyl-2-pyridinyl)oxy]cyclohexyl]pyrazolo[4,3-c]pyridin-3-yl]pyrazol-1-yl]propane-1,2-diol?

The InChIKey is SLFPIBIQSWNDHM-GPJFCIFZSA-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?/m0/s1.

What are the key properties of (2S)-3-[4-[6-(ethylamino)-1-[4-[(3-fluoro-4-methyl-2-pyridinyl)oxy]cyclohexyl]pyrazolo[4,3-c]pyridin-3-yl]pyrazol-1-yl]propane-1,2-diol?

(2S)-3-[4-[6-(ethylamino)-1-[4-[(3-fluoro-4-methyl-2-pyridinyl)oxy]cyclohexyl]pyrazolo[4,3-c]pyridin-3-yl]pyrazol-1-yl]propane-1,2-diol has a molecular weight of 509.59 g/mol, XLogP of 3.49, 9 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for (2S)-3-[4-[6-(ethylamino)-1-[4-[(3-fluoro-4-methyl-2-pyridinyl)oxy]cyclohexyl]pyrazolo[4,3-c]pyridin-3-yl]pyrazol-1-yl]propane-1,2-diol is sourced from PubChem (CID 138715423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).