(2R)-3-[4-[1-[4-(2,4-dimethylpyrimidin-5-yl)oxycyclohexyl]-6-(ethylamino)pyrazolo[4,3-c]pyridin-3-yl]pyrazol-1-yl]propane-1,2-diol

C26H34N8O3 — CID 138715012

About (2R)-3-[4-[1-[4-(2,4-dimethylpyrimidin-5-yl)oxycyclohexyl]-6-(ethylamino)pyrazolo[4,3-c]pyridin-3-yl]pyrazol-1-yl]propane-1,2-diol

(2R)-3-[4-[1-[4-(2,4-dimethylpyrimidin-5-yl)oxycyclohexyl]-6-(ethylamino)pyrazolo[4,3-c]pyridin-3-yl]pyrazol-1-yl]propane-1,2-diol (PubChem CID 138715012) has the molecular formula C26H34N8O3 and a molecular weight of 506.61 g/mol. Its IUPAC name is (2R)-3-[4-[1-[4-(2,4-dimethylpyrimidin-5-yl)oxycyclohexyl]-6-(ethylamino)pyrazolo[4,3-c]pyridin-3-yl]pyrazol-1-yl]propane-1,2-diol.

Molecular Properties

• Compound Name: (2R)-3-[4-[1-[4-(2,4-dimethylpyrimidin-5-yl)oxycyclohexyl]-6-(ethylamino)pyrazolo[4,3-c]pyridin-3-yl]pyrazol-1-yl]propane-1,2-diol
• PubChem CID: 138715012
• Molecular Formula: C26H34N8O3
• Molecular Weight: 506.61 g/mol
• Exact Mass: 506.28
• IUPAC Name: (2R)-3-[4-[1-[4-(2,4-dimethylpyrimidin-5-yl)oxycyclohexyl]-6-(ethylamino)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(Oc2cnc(C)nc2C)CC1
• InChI: InChI=1S/C26H34N8O3/c1-4-27-25-9-23-22(11-29-25)26(18-10-30-33(13-18)14-20(36)15-35)32-34(23)19-5-7-21(8-6-19)37-24-12-28-17(3)31-16(24)2/h9-13,19-21,35-36H,4-8,14-15H2,1-3H3,(H,27,29)/t19?,20-,21?/m1/s1
• InChIKey: GICYOAGGKVTALK-NYLDSWQDSA-N
• XLogP: 3.05
• TPSA: 136.03 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 11
• Rotatable Bonds: 9
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	506.61
LogP ≤ 5	3.05
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	11

Frequently Asked Questions

What is the IUPAC name of (2R)-3-[4-[1-[4-(2,4-dimethylpyrimidin-5-yl)oxycyclohexyl]-6-(ethylamino)pyrazolo[4,3-c]pyridin-3-yl]pyrazol-1-yl]propane-1,2-diol?

The IUPAC name of (2R)-3-[4-[1-[4-(2,4-dimethylpyrimidin-5-yl)oxycyclohexyl]-6-(ethylamino)pyrazolo[4,3-c]pyridin-3-yl]pyrazol-1-yl]propane-1,2-diol (CID 138715012) is (2R)-3-[4-[1-[4-(2,4-dimethylpyrimidin-5-yl)oxycyclohexyl]-6-(ethylamino)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-(2,4-dimethylpyrimidin-5-yl)oxycyclohexyl]-6-(ethylamino)pyrazolo[4,3-c]pyridin-3-yl]pyrazol-1-yl]propane-1,2-diol?

The canonical SMILES for (2R)-3-[4-[1-[4-(2,4-dimethylpyrimidin-5-yl)oxycyclohexyl]-6-(ethylamino)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(Oc2cnc(C)nc2C)CC1.

What is the InChIKey of (2R)-3-[4-[1-[4-(2,4-dimethylpyrimidin-5-yl)oxycyclohexyl]-6-(ethylamino)pyrazolo[4,3-c]pyridin-3-yl]pyrazol-1-yl]propane-1,2-diol?

The InChIKey is GICYOAGGKVTALK-NYLDSWQDSA-N. The full InChI is InChI=1S/C26H34N8O3/c1-4-27-25-9-23-22(11-29-25)26(18-10-30-33(13-18)14-20(36)15-35)32-34(23)19-5-7-21(8-6-19)37-24-12-28-17(3)31-16(24)2/h9-13,19-21,35-36H,4-8,14-15H2,1-3H3,(H,27,29)/t19?,20-,21?/m1/s1.

What are the key properties of (2R)-3-[4-[1-[4-(2,4-dimethylpyrimidin-5-yl)oxycyclohexyl]-6-(ethylamino)pyrazolo[4,3-c]pyridin-3-yl]pyrazol-1-yl]propane-1,2-diol?

(2R)-3-[4-[1-[4-(2,4-dimethylpyrimidin-5-yl)oxycyclohexyl]-6-(ethylamino)pyrazolo[4,3-c]pyridin-3-yl]pyrazol-1-yl]propane-1,2-diol has a molecular weight of 506.61 g/mol, XLogP of 3.05, 9 rotatable bonds, 3 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for (2R)-3-[4-[1-[4-(2,4-dimethylpyrimidin-5-yl)oxycyclohexyl]-6-(ethylamino)pyrazolo[4,3-c]pyridin-3-yl]pyrazol-1-yl]propane-1,2-diol is sourced from PubChem (CID 138715012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).