2-methyl-1-[4-[2-[1-(oxan-2-yl)-5-propan-2-yloxyindazol-3-yl]pyrimidin-4-yl]pyrazol-1-yl]propan-2-ol

C26H32N6O3 — CID 166099324

About 2-methyl-1-[4-[2-[1-(oxan-2-yl)-5-propan-2-yloxyindazol-3-yl]pyrimidin-4-yl]pyrazol-1-yl]propan-2-ol

2-methyl-1-[4-[2-[1-(oxan-2-yl)-5-propan-2-yloxyindazol-3-yl]pyrimidin-4-yl]pyrazol-1-yl]propan-2-ol (PubChem CID 166099324) has the molecular formula C26H32N6O3 and a molecular weight of 476.58 g/mol. Its IUPAC name is 2-methyl-1-[4-[2-[1-(oxan-2-yl)-5-propan-2-yloxyindazol-3-yl]pyrimidin-4-yl]pyrazol-1-yl]propan-2-ol.

Molecular Properties

• Compound Name: 2-methyl-1-[4-[2-[1-(oxan-2-yl)-5-propan-2-yloxyindazol-3-yl]pyrimidin-4-yl]pyrazol-1-yl]propan-2-ol
• PubChem CID: 166099324
• Molecular Formula: C26H32N6O3
• Molecular Weight: 476.58 g/mol
• Exact Mass: 476.25
• IUPAC Name: 2-methyl-1-[4-[2-[1-(oxan-2-yl)-5-propan-2-yloxyindazol-3-yl]pyrimidin-4-yl]pyrazol-1-yl]propan-2-ol
• SMILES: CC(C)Oc1ccc2c(c1)c(-c1nccc(-c3cnn(CC(C)(C)O)c3)n1)nn2C1CCCCO1
• InChI: InChI=1S/C26H32N6O3/c1-17(2)35-19-8-9-22-20(13-19)24(30-32(22)23-7-5-6-12-34-23)25-27-11-10-21(29-25)18-14-28-31(15-18)16-26(3,4)33/h8-11,13-15,17,23,33H,5-7,12,16H2,1-4H3
• InChIKey: VRAZKSOJNZKIDJ-UHFFFAOYSA-N
• XLogP: 4.61
• TPSA: 100.11 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 7
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	476.58
LogP ≤ 5	4.61
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[4-[2-[1-(oxan-2-yl)-5-propan-2-yloxyindazol-3-yl]pyrimidin-4-yl]pyrazol-1-yl]propan-2-ol?

The IUPAC name of 2-methyl-1-[4-[2-[1-(oxan-2-yl)-5-propan-2-yloxyindazol-3-yl]pyrimidin-4-yl]pyrazol-1-yl]propan-2-ol (CID 166099324) is 2-methyl-1-[4-[2-[1-(oxan-2-yl)-5-propan-2-yloxyindazol-3-yl]pyrimidin-4-yl]pyrazol-1-yl]propan-2-ol.

What is the SMILES notation for 2-methyl-1-[4-[2-[1-(oxan-2-yl)-5-propan-2-yloxyindazol-3-yl]pyrimidin-4-yl]pyrazol-1-yl]propan-2-ol?

The canonical SMILES for 2-methyl-1-[4-[2-[1-(oxan-2-yl)-5-propan-2-yloxyindazol-3-yl]pyrimidin-4-yl]pyrazol-1-yl]propan-2-ol is CC(C)Oc1ccc2c(c1)c(-c1nccc(-c3cnn(CC(C)(C)O)c3)n1)nn2C1CCCCO1.

What is the InChIKey of 2-methyl-1-[4-[2-[1-(oxan-2-yl)-5-propan-2-yloxyindazol-3-yl]pyrimidin-4-yl]pyrazol-1-yl]propan-2-ol?

The InChIKey is VRAZKSOJNZKIDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32N6O3/c1-17(2)35-19-8-9-22-20(13-19)24(30-32(22)23-7-5-6-12-34-23)25-27-11-10-21(29-25)18-14-28-31(15-18)16-26(3,4)33/h8-11,13-15,17,23,33H,5-7,12,16H2,1-4H3.

What are the key properties of 2-methyl-1-[4-[2-[1-(oxan-2-yl)-5-propan-2-yloxyindazol-3-yl]pyrimidin-4-yl]pyrazol-1-yl]propan-2-ol?

2-methyl-1-[4-[2-[1-(oxan-2-yl)-5-propan-2-yloxyindazol-3-yl]pyrimidin-4-yl]pyrazol-1-yl]propan-2-ol has a molecular weight of 476.58 g/mol, XLogP of 4.61, 7 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 2-methyl-1-[4-[2-[1-(oxan-2-yl)-5-propan-2-yloxyindazol-3-yl]pyrimidin-4-yl]pyrazol-1-yl]propan-2-ol is sourced from PubChem (CID 166099324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).