8-(1,1-difluoroethyl)-N-[[(2R)-1,4-dioxan-2-yl]methyl]-2-(pyridin-2-ylmethyl)spiro[5H-furo[2,3-g]indazole-4,1'-cyclobutane]-7-carboxamide

C26H28F2N4O4 — CID 156517598

About 8-(1,1-difluoroethyl)-N-[[(2R)-1,4-dioxan-2-yl]methyl]-2-(pyridin-2-ylmethyl)spiro[5H-furo[2,3-g]indazole-4,1'-cyclobutane]-7-carboxamide

8-(1,1-difluoroethyl)-N-[[(2R)-1,4-dioxan-2-yl]methyl]-2-(pyridin-2-ylmethyl)spiro[5H-furo[2,3-g]indazole-4,1'-cyclobutane]-7-carboxamide (PubChem CID 156517598) has the molecular formula C26H28F2N4O4 and a molecular weight of 498.53 g/mol. Its IUPAC name is 8-(1,1-difluoroethyl)-N-[[(2R)-1,4-dioxan-2-yl]methyl]-2-(pyridin-2-ylmethyl)spiro[5H-furo[2,3-g]indazole-4,1'-cyclobutane]-7-carboxamide.

Molecular Properties

• Compound Name: 8-(1,1-difluoroethyl)-N-[[(2R)-1,4-dioxan-2-yl]methyl]-2-(pyridin-2-ylmethyl)spiro[5H-furo[2,3-g]indazole-4,1'-cyclobutane]-7-carboxamide
• PubChem CID: 156517598
• Molecular Formula: C26H28F2N4O4
• Molecular Weight: 498.53 g/mol
• Exact Mass: 498.21
• IUPAC Name: 8-(1,1-difluoroethyl)-N-[[(2R)-1,4-dioxan-2-yl]methyl]-2-(pyridin-2-ylmethyl)spiro[5H-furo[2,3-g]indazole-4,1'-cyclobutane]-7-carboxamide
• SMILES: CC(F)(F)c1c(C(=O)NC[C@@H]2COCCO2)oc2c1-c1nn(Cc3ccccn3)cc1C1(CCC1)C2
• InChI: InChI=1S/C26H28F2N4O4/c1-25(27,28)21-20-19(36-23(21)24(33)30-12-17-15-34-9-10-35-17)11-26(6-4-7-26)18-14-32(31-22(18)20)13-16-5-2-3-8-29-16/h2-3,5,8,14,17H,4,6-7,9-13,15H2,1H3,(H,30,33)/t17-/m1/s1
• InChIKey: ILWFRKZPMBTBEF-QGZVFWFLSA-N
• XLogP: 3.82
• TPSA: 91.41 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	498.53
LogP ≤ 5	3.82
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 8-(1,1-difluoroethyl)-N-[[(2R)-1,4-dioxan-2-yl]methyl]-2-(pyridin-2-ylmethyl)spiro[5H-furo[2,3-g]indazole-4,1'-cyclobutane]-7-carboxamide?

The IUPAC name of 8-(1,1-difluoroethyl)-N-[[(2R)-1,4-dioxan-2-yl]methyl]-2-(pyridin-2-ylmethyl)spiro[5H-furo[2,3-g]indazole-4,1'-cyclobutane]-7-carboxamide (CID 156517598) is 8-(1,1-difluoroethyl)-N-[[(2R)-1,4-dioxan-2-yl]methyl]-2-(pyridin-2-ylmethyl)spiro[5H-furo[2,3-g]indazole-4,1'-cyclobutane]-7-carboxamide.

What is the SMILES notation for 8-(1,1-difluoroethyl)-N-[[(2R)-1,4-dioxan-2-yl]methyl]-2-(pyridin-2-ylmethyl)spiro[5H-furo[2,3-g]indazole-4,1'-cyclobutane]-7-carboxamide?

The canonical SMILES for 8-(1,1-difluoroethyl)-N-[[(2R)-1,4-dioxan-2-yl]methyl]-2-(pyridin-2-ylmethyl)spiro[5H-furo[2,3-g]indazole-4,1'-cyclobutane]-7-carboxamide is CC(F)(F)c1c(C(=O)NC[C@@H]2COCCO2)oc2c1-c1nn(Cc3ccccn3)cc1C1(CCC1)C2.

What is the InChIKey of 8-(1,1-difluoroethyl)-N-[[(2R)-1,4-dioxan-2-yl]methyl]-2-(pyridin-2-ylmethyl)spiro[5H-furo[2,3-g]indazole-4,1'-cyclobutane]-7-carboxamide?

The InChIKey is ILWFRKZPMBTBEF-QGZVFWFLSA-N. The full InChI is InChI=1S/C26H28F2N4O4/c1-25(27,28)21-20-19(36-23(21)24(33)30-12-17-15-34-9-10-35-17)11-26(6-4-7-26)18-14-32(31-22(18)20)13-16-5-2-3-8-29-16/h2-3,5,8,14,17H,4,6-7,9-13,15H2,1H3,(H,30,33)/t17-/m1/s1.

What are the key properties of 8-(1,1-difluoroethyl)-N-[[(2R)-1,4-dioxan-2-yl]methyl]-2-(pyridin-2-ylmethyl)spiro[5H-furo[2,3-g]indazole-4,1'-cyclobutane]-7-carboxamide?

8-(1,1-difluoroethyl)-N-[[(2R)-1,4-dioxan-2-yl]methyl]-2-(pyridin-2-ylmethyl)spiro[5H-furo[2,3-g]indazole-4,1'-cyclobutane]-7-carboxamide has a molecular weight of 498.53 g/mol, XLogP of 3.82, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 8-(1,1-difluoroethyl)-N-[[(2R)-1,4-dioxan-2-yl]methyl]-2-(pyridin-2-ylmethyl)spiro[5H-furo[2,3-g]indazole-4,1'-cyclobutane]-7-carboxamide is sourced from PubChem (CID 156517598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).