3-[2-[5-amino-1-[6-(2,6-difluorophenoxy)-4-methyl-3-pyridinyl]pyrazole-4-carbonyl]-5-(2,2-difluoroethoxy)-1H-indol-6-yl]-7-(oxetan-3-yl)-1,3,7-triazaspiro[4.4]nonan-2-one

C35H32F4N8O5 — CID 146258205

About 3-[2-[5-amino-1-[6-(2,6-difluorophenoxy)-4-methyl-3-pyridinyl]pyrazole-4-carbonyl]-5-(2,2-difluoroethoxy)-1H-indol-6-yl]-7-(oxetan-3-yl)-1,3,7-triazaspiro[4.4]nonan-2-one

3-[2-[5-amino-1-[6-(2,6-difluorophenoxy)-4-methyl-3-pyridinyl]pyrazole-4-carbonyl]-5-(2,2-difluoroethoxy)-1H-indol-6-yl]-7-(oxetan-3-yl)-1,3,7-triazaspiro[4.4]nonan-2-one (PubChem CID 146258205) has the molecular formula C35H32F4N8O5 and a molecular weight of 720.68 g/mol. Its IUPAC name is 3-[2-[5-amino-1-[6-(2,6-difluorophenoxy)-4-methyl-3-pyridinyl]pyrazole-4-carbonyl]-5-(2,2-difluoroethoxy)-1H-indol-6-yl]-7-(oxetan-3-yl)-1,3,7-triazaspiro[4.4]nonan-2-one.

Molecular Properties

• Compound Name: 3-[2-[5-amino-1-[6-(2,6-difluorophenoxy)-4-methyl-3-pyridinyl]pyrazole-4-carbonyl]-5-(2,2-difluoroethoxy)-1H-indol-6-yl]-7-(oxetan-3-yl)-1,3,7-triazaspiro[4.4]nonan-2-one
• PubChem CID: 146258205
• Molecular Formula: C35H32F4N8O5
• Molecular Weight: 720.68 g/mol
• Exact Mass: 720.24
• IUPAC Name: 3-[2-[5-amino-1-[6-(2,6-difluorophenoxy)-4-methyl-3-pyridinyl]pyrazole-4-carbonyl]-5-(2,2-difluoroethoxy)-1H-indol-6-yl]-7-(oxetan-3-yl)-1,3,7-triazaspiro[4.4]nonan-2-one
• SMILES: Cc1cc(Oc2c(F)cccc2F)ncc1-n1ncc(C(=O)c2cc3cc(OCC(F)F)c(N4CC5(CCN(C6COC6)C5)NC4=O)cc3[nH]2)c1N
• InChI: InChI=1S/C35H32F4N8O5/c1-18-7-30(52-32-22(36)3-2-4-23(32)37)41-12-27(18)47-33(40)21(11-42-47)31(48)25-8-19-9-28(51-15-29(38)39)26(10-24(19)43-25)46-17-35(44-34(46)49)5-6-45(16-35)20-13-50-14-20/h2-4,7-12,20,29,43H,5-6,13-17,40H2,1H3,(H,44,49)
• InChIKey: JYMPYMUIAWPKEB-UHFFFAOYSA-N
• XLogP: 4.96
• TPSA: 152.86 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 10
• Rotatable Bonds: 10
• Heavy Atoms: 52
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	720.68
LogP ≤ 5	4.96
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of 3-[2-[5-amino-1-[6-(2,6-difluorophenoxy)-4-methyl-3-pyridinyl]pyrazole-4-carbonyl]-5-(2,2-difluoroethoxy)-1H-indol-6-yl]-7-(oxetan-3-yl)-1,3,7-triazaspiro[4.4]nonan-2-one?

The IUPAC name of 3-[2-[5-amino-1-[6-(2,6-difluorophenoxy)-4-methyl-3-pyridinyl]pyrazole-4-carbonyl]-5-(2,2-difluoroethoxy)-1H-indol-6-yl]-7-(oxetan-3-yl)-1,3,7-triazaspiro[4.4]nonan-2-one (CID 146258205) is 3-[2-[5-amino-1-[6-(2,6-difluorophenoxy)-4-methyl-3-pyridinyl]pyrazole-4-carbonyl]-5-(2,2-difluoroethoxy)-1H-indol-6-yl]-7-(oxetan-3-yl)-1,3,7-triazaspiro[4.4]nonan-2-one.

What is the SMILES notation for 3-[2-[5-amino-1-[6-(2,6-difluorophenoxy)-4-methyl-3-pyridinyl]pyrazole-4-carbonyl]-5-(2,2-difluoroethoxy)-1H-indol-6-yl]-7-(oxetan-3-yl)-1,3,7-triazaspiro[4.4]nonan-2-one?

The canonical SMILES for 3-[2-[5-amino-1-[6-(2,6-difluorophenoxy)-4-methyl-3-pyridinyl]pyrazole-4-carbonyl]-5-(2,2-difluoroethoxy)-1H-indol-6-yl]-7-(oxetan-3-yl)-1,3,7-triazaspiro[4.4]nonan-2-one is Cc1cc(Oc2c(F)cccc2F)ncc1-n1ncc(C(=O)c2cc3cc(OCC(F)F)c(N4CC5(CCN(C6COC6)C5)NC4=O)cc3[nH]2)c1N.

What is the InChIKey of 3-[2-[5-amino-1-[6-(2,6-difluorophenoxy)-4-methyl-3-pyridinyl]pyrazole-4-carbonyl]-5-(2,2-difluoroethoxy)-1H-indol-6-yl]-7-(oxetan-3-yl)-1,3,7-triazaspiro[4.4]nonan-2-one?

The InChIKey is JYMPYMUIAWPKEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H32F4N8O5/c1-18-7-30(52-32-22(36)3-2-4-23(32)37)41-12-27(18)47-33(40)21(11-42-47)31(48)25-8-19-9-28(51-15-29(38)39)26(10-24(19)43-25)46-17-35(44-34(46)49)5-6-45(16-35)20-13-50-14-20/h2-4,7-12,20,29,43H,5-6,13-17,40H2,1H3,(H,44,49).

What are the key properties of 3-[2-[5-amino-1-[6-(2,6-difluorophenoxy)-4-methyl-3-pyridinyl]pyrazole-4-carbonyl]-5-(2,2-difluoroethoxy)-1H-indol-6-yl]-7-(oxetan-3-yl)-1,3,7-triazaspiro[4.4]nonan-2-one?

3-[2-[5-amino-1-[6-(2,6-difluorophenoxy)-4-methyl-3-pyridinyl]pyrazole-4-carbonyl]-5-(2,2-difluoroethoxy)-1H-indol-6-yl]-7-(oxetan-3-yl)-1,3,7-triazaspiro[4.4]nonan-2-one has a molecular weight of 720.68 g/mol, XLogP of 4.96, 10 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[2-[5-amino-1-[6-(2,6-difluorophenoxy)-4-methyl-3-pyridinyl]pyrazole-4-carbonyl]-5-(2,2-difluoroethoxy)-1H-indol-6-yl]-7-(oxetan-3-yl)-1,3,7-triazaspiro[4.4]nonan-2-one is sourced from PubChem (CID 146258205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).