8-[4-[2-[3-(1-methylpyrazol-4-yl)phenyl]pyrimidin-5-yl]pyrazol-1-yl]-1-azaspiro[4.5]decan-2-ol

C26H29N7O — CID 123805654

About 8-[4-[2-[3-(1-methylpyrazol-4-yl)phenyl]pyrimidin-5-yl]pyrazol-1-yl]-1-azaspiro[4.5]decan-2-ol

8-[4-[2-[3-(1-methylpyrazol-4-yl)phenyl]pyrimidin-5-yl]pyrazol-1-yl]-1-azaspiro[4.5]decan-2-ol (PubChem CID 123805654) has the molecular formula C26H29N7O and a molecular weight of 455.57 g/mol. Its IUPAC name is 8-[4-[2-[3-(1-methylpyrazol-4-yl)phenyl]pyrimidin-5-yl]pyrazol-1-yl]-1-azaspiro[4.5]decan-2-ol.

Molecular Properties

• Compound Name: 8-[4-[2-[3-(1-methylpyrazol-4-yl)phenyl]pyrimidin-5-yl]pyrazol-1-yl]-1-azaspiro[4.5]decan-2-ol
• PubChem CID: 123805654
• Molecular Formula: C26H29N7O
• Molecular Weight: 455.57 g/mol
• Exact Mass: 455.24
• IUPAC Name: 8-[4-[2-[3-(1-methylpyrazol-4-yl)phenyl]pyrimidin-5-yl]pyrazol-1-yl]-1-azaspiro[4.5]decan-2-ol
• SMILES: Cn1cc(-c2cccc(-c3ncc(-c4cnn(C5CCC6(CCC(O)N6)CC5)c4)cn3)c2)cn1
• InChI: InChI=1S/C26H29N7O/c1-32-16-21(14-29-32)18-3-2-4-19(11-18)25-27-12-20(13-28-25)22-15-30-33(17-22)23-5-8-26(9-6-23)10-7-24(34)31-26/h2-4,11-17,23-24,31,34H,5-10H2,1H3
• InChIKey: STNAWIGPPFFVRY-UHFFFAOYSA-N
• XLogP: 3.96
• TPSA: 93.68 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 4
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	455.57
LogP ≤ 5	3.96
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 8-[4-[2-[3-(1-methylpyrazol-4-yl)phenyl]pyrimidin-5-yl]pyrazol-1-yl]-1-azaspiro[4.5]decan-2-ol?

The IUPAC name of 8-[4-[2-[3-(1-methylpyrazol-4-yl)phenyl]pyrimidin-5-yl]pyrazol-1-yl]-1-azaspiro[4.5]decan-2-ol (CID 123805654) is 8-[4-[2-[3-(1-methylpyrazol-4-yl)phenyl]pyrimidin-5-yl]pyrazol-1-yl]-1-azaspiro[4.5]decan-2-ol.

What is the SMILES notation for 8-[4-[2-[3-(1-methylpyrazol-4-yl)phenyl]pyrimidin-5-yl]pyrazol-1-yl]-1-azaspiro[4.5]decan-2-ol?

The canonical SMILES for 8-[4-[2-[3-(1-methylpyrazol-4-yl)phenyl]pyrimidin-5-yl]pyrazol-1-yl]-1-azaspiro[4.5]decan-2-ol is Cn1cc(-c2cccc(-c3ncc(-c4cnn(C5CCC6(CCC(O)N6)CC5)c4)cn3)c2)cn1.

What is the InChIKey of 8-[4-[2-[3-(1-methylpyrazol-4-yl)phenyl]pyrimidin-5-yl]pyrazol-1-yl]-1-azaspiro[4.5]decan-2-ol?

The InChIKey is STNAWIGPPFFVRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29N7O/c1-32-16-21(14-29-32)18-3-2-4-19(11-18)25-27-12-20(13-28-25)22-15-30-33(17-22)23-5-8-26(9-6-23)10-7-24(34)31-26/h2-4,11-17,23-24,31,34H,5-10H2,1H3.

What are the key properties of 8-[4-[2-[3-(1-methylpyrazol-4-yl)phenyl]pyrimidin-5-yl]pyrazol-1-yl]-1-azaspiro[4.5]decan-2-ol?

8-[4-[2-[3-(1-methylpyrazol-4-yl)phenyl]pyrimidin-5-yl]pyrazol-1-yl]-1-azaspiro[4.5]decan-2-ol has a molecular weight of 455.57 g/mol, XLogP of 3.96, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 8-[4-[2-[3-(1-methylpyrazol-4-yl)phenyl]pyrimidin-5-yl]pyrazol-1-yl]-1-azaspiro[4.5]decan-2-ol is sourced from PubChem (CID 123805654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).