8-(dimethylamino)-3-[2-(1-methylpyrrolo[2,3-b]pyridin-4-yl)pyrimidin-5-yl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-ol

C28H33N7O — CID 138534583

About 8-(dimethylamino)-3-[2-(1-methylpyrrolo[2,3-b]pyridin-4-yl)pyrimidin-5-yl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-ol

8-(dimethylamino)-3-[2-(1-methylpyrrolo[2,3-b]pyridin-4-yl)pyrimidin-5-yl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-ol (PubChem CID 138534583) has the molecular formula C28H33N7O and a molecular weight of 483.62 g/mol. Its IUPAC name is 8-(dimethylamino)-3-[2-(1-methylpyrrolo[2,3-b]pyridin-4-yl)pyrimidin-5-yl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-ol.

Molecular Properties

• Compound Name: 8-(dimethylamino)-3-[2-(1-methylpyrrolo[2,3-b]pyridin-4-yl)pyrimidin-5-yl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-ol
• PubChem CID: 138534583
• Molecular Formula: C28H33N7O
• Molecular Weight: 483.62 g/mol
• Exact Mass: 483.27
• IUPAC Name: 8-(dimethylamino)-3-[2-(1-methylpyrrolo[2,3-b]pyridin-4-yl)pyrimidin-5-yl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-ol
• SMILES: CN(C)C1(c2ccccc2)CCC2(CC1)CN(c1cnc(-c3ccnc4c3ccn4C)nc1)C(O)N2
• InChI: InChI=1S/C28H33N7O/c1-33(2)28(20-7-5-4-6-8-20)13-11-27(12-14-28)19-35(26(36)32-27)21-17-30-24(31-18-21)22-9-15-29-25-23(22)10-16-34(25)3/h4-10,15-18,26,32,36H,11-14,19H2,1-3H3
• InChIKey: JSQOKZFZKTZGSB-UHFFFAOYSA-N
• XLogP: 3.49
• TPSA: 82.34 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 4
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	483.62
LogP ≤ 5	3.49
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 8-(dimethylamino)-3-[2-(1-methylpyrrolo[2,3-b]pyridin-4-yl)pyrimidin-5-yl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-ol?

The IUPAC name of 8-(dimethylamino)-3-[2-(1-methylpyrrolo[2,3-b]pyridin-4-yl)pyrimidin-5-yl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-ol (CID 138534583) is 8-(dimethylamino)-3-[2-(1-methylpyrrolo[2,3-b]pyridin-4-yl)pyrimidin-5-yl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-ol.

What is the SMILES notation for 8-(dimethylamino)-3-[2-(1-methylpyrrolo[2,3-b]pyridin-4-yl)pyrimidin-5-yl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-ol?

The canonical SMILES for 8-(dimethylamino)-3-[2-(1-methylpyrrolo[2,3-b]pyridin-4-yl)pyrimidin-5-yl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-ol is CN(C)C1(c2ccccc2)CCC2(CC1)CN(c1cnc(-c3ccnc4c3ccn4C)nc1)C(O)N2.

What is the InChIKey of 8-(dimethylamino)-3-[2-(1-methylpyrrolo[2,3-b]pyridin-4-yl)pyrimidin-5-yl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-ol?

The InChIKey is JSQOKZFZKTZGSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H33N7O/c1-33(2)28(20-7-5-4-6-8-20)13-11-27(12-14-28)19-35(26(36)32-27)21-17-30-24(31-18-21)22-9-15-29-25-23(22)10-16-34(25)3/h4-10,15-18,26,32,36H,11-14,19H2,1-3H3.

What are the key properties of 8-(dimethylamino)-3-[2-(1-methylpyrrolo[2,3-b]pyridin-4-yl)pyrimidin-5-yl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-ol?

8-(dimethylamino)-3-[2-(1-methylpyrrolo[2,3-b]pyridin-4-yl)pyrimidin-5-yl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-ol has a molecular weight of 483.62 g/mol, XLogP of 3.49, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 8-(dimethylamino)-3-[2-(1-methylpyrrolo[2,3-b]pyridin-4-yl)pyrimidin-5-yl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-ol is sourced from PubChem (CID 138534583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).