N-[[6-(4,7-diazaspiro[2.5]octan-7-yl)-3-(trifluoromethyl)-2-pyridinyl]methyl]-5-(oxan-4-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine

C24H28F3N7O — CID 168933787

About N-[[6-(4,7-diazaspiro[2.5]octan-7-yl)-3-(trifluoromethyl)-2-pyridinyl]methyl]-5-(oxan-4-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine

N-[[6-(4,7-diazaspiro[2.5]octan-7-yl)-3-(trifluoromethyl)-2-pyridinyl]methyl]-5-(oxan-4-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine (PubChem CID 168933787) has the molecular formula C24H28F3N7O and a molecular weight of 487.53 g/mol. Its IUPAC name is N-[[6-(4,7-diazaspiro[2.5]octan-7-yl)-3-(trifluoromethyl)-2-pyridinyl]methyl]-5-(oxan-4-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine.

Molecular Properties

• Compound Name: N-[[6-(4,7-diazaspiro[2.5]octan-7-yl)-3-(trifluoromethyl)-2-pyridinyl]methyl]-5-(oxan-4-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine
• PubChem CID: 168933787
• Molecular Formula: C24H28F3N7O
• Molecular Weight: 487.53 g/mol
• Exact Mass: 487.23
• IUPAC Name: N-[[6-(4,7-diazaspiro[2.5]octan-7-yl)-3-(trifluoromethyl)-2-pyridinyl]methyl]-5-(oxan-4-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine
• SMILES: FC(F)(F)c1ccc(N2CCNC3(CC3)C2)nc1CNc1ncnc2[nH]cc(C3CCOCC3)c12
• InChI: InChI=1S/C24H28F3N7O/c25-24(26,27)17-1-2-19(34-8-7-32-23(13-34)5-6-23)33-18(17)12-29-22-20-16(15-3-9-35-10-4-15)11-28-21(20)30-14-31-22/h1-2,11,14-15,32H,3-10,12-13H2,(H2,28,29,30,31)
• InChIKey: LVZVCGPECZUKGZ-UHFFFAOYSA-N
• XLogP: 3.82
• TPSA: 90.99 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	487.53
LogP ≤ 5	3.82
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-[[6-(4,7-diazaspiro[2.5]octan-7-yl)-3-(trifluoromethyl)-2-pyridinyl]methyl]-5-(oxan-4-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine?

The IUPAC name of N-[[6-(4,7-diazaspiro[2.5]octan-7-yl)-3-(trifluoromethyl)-2-pyridinyl]methyl]-5-(oxan-4-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine (CID 168933787) is N-[[6-(4,7-diazaspiro[2.5]octan-7-yl)-3-(trifluoromethyl)-2-pyridinyl]methyl]-5-(oxan-4-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine.

What is the SMILES notation for N-[[6-(4,7-diazaspiro[2.5]octan-7-yl)-3-(trifluoromethyl)-2-pyridinyl]methyl]-5-(oxan-4-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine?

The canonical SMILES for N-[[6-(4,7-diazaspiro[2.5]octan-7-yl)-3-(trifluoromethyl)-2-pyridinyl]methyl]-5-(oxan-4-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine is FC(F)(F)c1ccc(N2CCNC3(CC3)C2)nc1CNc1ncnc2[nH]cc(C3CCOCC3)c12.

What is the InChIKey of N-[[6-(4,7-diazaspiro[2.5]octan-7-yl)-3-(trifluoromethyl)-2-pyridinyl]methyl]-5-(oxan-4-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine?

The InChIKey is LVZVCGPECZUKGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28F3N7O/c25-24(26,27)17-1-2-19(34-8-7-32-23(13-34)5-6-23)33-18(17)12-29-22-20-16(15-3-9-35-10-4-15)11-28-21(20)30-14-31-22/h1-2,11,14-15,32H,3-10,12-13H2,(H2,28,29,30,31).

What are the key properties of N-[[6-(4,7-diazaspiro[2.5]octan-7-yl)-3-(trifluoromethyl)-2-pyridinyl]methyl]-5-(oxan-4-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine?

N-[[6-(4,7-diazaspiro[2.5]octan-7-yl)-3-(trifluoromethyl)-2-pyridinyl]methyl]-5-(oxan-4-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine has a molecular weight of 487.53 g/mol, XLogP of 3.82, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[[6-(4,7-diazaspiro[2.5]octan-7-yl)-3-(trifluoromethyl)-2-pyridinyl]methyl]-5-(oxan-4-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 168933787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).