5-[1-(2,2-difluoroethyl)-2-methylimidazo[4,5-b]pyridin-6-yl]-4-methoxy-N-(1-oxaspiro[3.5]nonan-7-yl)-7H-pyrrolo[2,3-d]pyrimidin-2-amine

C24H27F2N7O2 — CID 168772691

About 5-[1-(2,2-difluoroethyl)-2-methylimidazo[4,5-b]pyridin-6-yl]-4-methoxy-N-(1-oxaspiro[3.5]nonan-7-yl)-7H-pyrrolo[2,3-d]pyrimidin-2-amine

5-[1-(2,2-difluoroethyl)-2-methylimidazo[4,5-b]pyridin-6-yl]-4-methoxy-N-(1-oxaspiro[3.5]nonan-7-yl)-7H-pyrrolo[2,3-d]pyrimidin-2-amine (PubChem CID 168772691) has the molecular formula C24H27F2N7O2 and a molecular weight of 483.52 g/mol. Its IUPAC name is 5-[1-(2,2-difluoroethyl)-2-methylimidazo[4,5-b]pyridin-6-yl]-4-methoxy-N-(1-oxaspiro[3.5]nonan-7-yl)-7H-pyrrolo[2,3-d]pyrimidin-2-amine.

Molecular Properties

• Compound Name: 5-[1-(2,2-difluoroethyl)-2-methylimidazo[4,5-b]pyridin-6-yl]-4-methoxy-N-(1-oxaspiro[3.5]nonan-7-yl)-7H-pyrrolo[2,3-d]pyrimidin-2-amine
• PubChem CID: 168772691
• Molecular Formula: C24H27F2N7O2
• Molecular Weight: 483.52 g/mol
• Exact Mass: 483.22
• IUPAC Name: 5-[1-(2,2-difluoroethyl)-2-methylimidazo[4,5-b]pyridin-6-yl]-4-methoxy-N-(1-oxaspiro[3.5]nonan-7-yl)-7H-pyrrolo[2,3-d]pyrimidin-2-amine
• SMILES: COc1nc(NC2CCC3(CCO3)CC2)nc2[nH]cc(-c3cnc4nc(C)n(CC(F)F)c4c3)c12
• InChI: InChI=1S/C24H27F2N7O2/c1-13-29-20-17(33(13)12-18(25)26)9-14(10-27-20)16-11-28-21-19(16)22(34-2)32-23(31-21)30-15-3-5-24(6-4-15)7-8-35-24/h9-11,15,18H,3-8,12H2,1-2H3,(H2,28,30,31,32)
• InChIKey: HTYURRAWQYPWQD-UHFFFAOYSA-N
• XLogP: 4.47
• TPSA: 102.77 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	483.52
LogP ≤ 5	4.47
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 5-[1-(2,2-difluoroethyl)-2-methylimidazo[4,5-b]pyridin-6-yl]-4-methoxy-N-(1-oxaspiro[3.5]nonan-7-yl)-7H-pyrrolo[2,3-d]pyrimidin-2-amine?

The IUPAC name of 5-[1-(2,2-difluoroethyl)-2-methylimidazo[4,5-b]pyridin-6-yl]-4-methoxy-N-(1-oxaspiro[3.5]nonan-7-yl)-7H-pyrrolo[2,3-d]pyrimidin-2-amine (CID 168772691) is 5-[1-(2,2-difluoroethyl)-2-methylimidazo[4,5-b]pyridin-6-yl]-4-methoxy-N-(1-oxaspiro[3.5]nonan-7-yl)-7H-pyrrolo[2,3-d]pyrimidin-2-amine.

What is the SMILES notation for 5-[1-(2,2-difluoroethyl)-2-methylimidazo[4,5-b]pyridin-6-yl]-4-methoxy-N-(1-oxaspiro[3.5]nonan-7-yl)-7H-pyrrolo[2,3-d]pyrimidin-2-amine?

The canonical SMILES for 5-[1-(2,2-difluoroethyl)-2-methylimidazo[4,5-b]pyridin-6-yl]-4-methoxy-N-(1-oxaspiro[3.5]nonan-7-yl)-7H-pyrrolo[2,3-d]pyrimidin-2-amine is COc1nc(NC2CCC3(CCO3)CC2)nc2[nH]cc(-c3cnc4nc(C)n(CC(F)F)c4c3)c12.

What is the InChIKey of 5-[1-(2,2-difluoroethyl)-2-methylimidazo[4,5-b]pyridin-6-yl]-4-methoxy-N-(1-oxaspiro[3.5]nonan-7-yl)-7H-pyrrolo[2,3-d]pyrimidin-2-amine?

The InChIKey is HTYURRAWQYPWQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27F2N7O2/c1-13-29-20-17(33(13)12-18(25)26)9-14(10-27-20)16-11-28-21-19(16)22(34-2)32-23(31-21)30-15-3-5-24(6-4-15)7-8-35-24/h9-11,15,18H,3-8,12H2,1-2H3,(H2,28,30,31,32).

What are the key properties of 5-[1-(2,2-difluoroethyl)-2-methylimidazo[4,5-b]pyridin-6-yl]-4-methoxy-N-(1-oxaspiro[3.5]nonan-7-yl)-7H-pyrrolo[2,3-d]pyrimidin-2-amine?

5-[1-(2,2-difluoroethyl)-2-methylimidazo[4,5-b]pyridin-6-yl]-4-methoxy-N-(1-oxaspiro[3.5]nonan-7-yl)-7H-pyrrolo[2,3-d]pyrimidin-2-amine has a molecular weight of 483.52 g/mol, XLogP of 4.47, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[1-(2,2-difluoroethyl)-2-methylimidazo[4,5-b]pyridin-6-yl]-4-methoxy-N-(1-oxaspiro[3.5]nonan-7-yl)-7H-pyrrolo[2,3-d]pyrimidin-2-amine is sourced from PubChem (CID 168772691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).