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

C24H26F2N4O5 — CID 156517589

IUPAC8-(1,1-difluoroethyl)-2-[[(2S)-1,4-dioxan-2-yl]methyl]-N-(1,3-oxazol-2-ylmethyl)spiro[5H-furo[2,3-g]indazole-4,1'-cyclobutane]-7-carboxamide
SMILESCC(F)(F)c1c(C(=O)NCc2ncco2)oc2c1-c1nn(C[C@H]3COCCO3)cc1C1(CCC1)C2
InChIInChI=1S/C24H26F2N4O5/c1-23(25,26)19-18-16(35-21(19)22(31)28-10-17-27-5-6-34-17)9-24(3-2-4-24)15-12-30(29-20(15)18)11-14-13-32-7-8-33-14/h5-6,12,14H,2-4,7-11,13H2,1H3,(H,28,31)/t14-/m0/s1
InChIKeyDPEPYAXBVPNQRQ-AWEZNQCLSA-N
MW488.49 g/mol
LogP3.57
Rot. Bonds6

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

8-(1,1-difluoroethyl)-2-[[(2S)-1,4-dioxan-2-yl]methyl]-N-(1,3-oxazol-2-ylmethyl)spiro[5H-furo[2,3-g]indazole-4,1'-cyclobutane]-7-carboxamide (PubChem CID 156517589) has the molecular formula C24H26F2N4O5 and a molecular weight of 488.49 g/mol. Its IUPAC name is 8-(1,1-difluoroethyl)-2-[[(2S)-1,4-dioxan-2-yl]methyl]-N-(1,3-oxazol-2-ylmethyl)spiro[5H-furo[2,3-g]indazole-4,1'-cyclobutane]-7-carboxamide.

Molecular Properties

Compound Name8-(1,1-difluoroethyl)-2-[[(2S)-1,4-dioxan-2-yl]methyl]-N-(1,3-oxazol-2-ylmethyl)spiro[5H-furo[2,3-g]indazole-4,1'-cyclobutane]-7-carboxamide
PubChem CID156517589
Molecular FormulaC24H26F2N4O5
Molecular Weight488.49 g/mol
Exact Mass488.19
IUPAC Name8-(1,1-difluoroethyl)-2-[[(2S)-1,4-dioxan-2-yl]methyl]-N-(1,3-oxazol-2-ylmethyl)spiro[5H-furo[2,3-g]indazole-4,1'-cyclobutane]-7-carboxamide
SMILESCC(F)(F)c1c(C(=O)NCc2ncco2)oc2c1-c1nn(C[C@H]3COCCO3)cc1C1(CCC1)C2
InChIInChI=1S/C24H26F2N4O5/c1-23(25,26)19-18-16(35-21(19)22(31)28-10-17-27-5-6-34-17)9-24(3-2-4-24)15-12-30(29-20(15)18)11-14-13-32-7-8-33-14/h5-6,12,14H,2-4,7-11,13H2,1H3,(H,28,31)/t14-/m0/s1
InChIKeyDPEPYAXBVPNQRQ-AWEZNQCLSA-N
XLogP3.57
TPSA104.55 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.49
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 8-(1,1-difluoroethyl)-2-[[(2S)-1,4-dioxan-2-yl]methyl]-N-(1,3-oxazol-2-ylmethyl)spiro[5H-furo[2,3-g]indazole-4,1'-cyclobutane]-7-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 8-(1,1-difluoroethyl)-2-[[(2S)-1,4-dioxan-2-yl]methyl]-N-(1,3-oxazol-2-ylmethyl)spiro[5H-furo[2,3-g]indazole-4,1'-cyclobutane]-7-carboxamide?
The IUPAC name of 8-(1,1-difluoroethyl)-2-[[(2S)-1,4-dioxan-2-yl]methyl]-N-(1,3-oxazol-2-ylmethyl)spiro[5H-furo[2,3-g]indazole-4,1'-cyclobutane]-7-carboxamide (CID 156517589) is 8-(1,1-difluoroethyl)-2-[[(2S)-1,4-dioxan-2-yl]methyl]-N-(1,3-oxazol-2-ylmethyl)spiro[5H-furo[2,3-g]indazole-4,1'-cyclobutane]-7-carboxamide.
What is the SMILES notation for 8-(1,1-difluoroethyl)-2-[[(2S)-1,4-dioxan-2-yl]methyl]-N-(1,3-oxazol-2-ylmethyl)spiro[5H-furo[2,3-g]indazole-4,1'-cyclobutane]-7-carboxamide?
The canonical SMILES for 8-(1,1-difluoroethyl)-2-[[(2S)-1,4-dioxan-2-yl]methyl]-N-(1,3-oxazol-2-ylmethyl)spiro[5H-furo[2,3-g]indazole-4,1'-cyclobutane]-7-carboxamide is CC(F)(F)c1c(C(=O)NCc2ncco2)oc2c1-c1nn(C[C@H]3COCCO3)cc1C1(CCC1)C2.
What is the InChIKey of 8-(1,1-difluoroethyl)-2-[[(2S)-1,4-dioxan-2-yl]methyl]-N-(1,3-oxazol-2-ylmethyl)spiro[5H-furo[2,3-g]indazole-4,1'-cyclobutane]-7-carboxamide?
The InChIKey is DPEPYAXBVPNQRQ-AWEZNQCLSA-N. The full InChI is InChI=1S/C24H26F2N4O5/c1-23(25,26)19-18-16(35-21(19)22(31)28-10-17-27-5-6-34-17)9-24(3-2-4-24)15-12-30(29-20(15)18)11-14-13-32-7-8-33-14/h5-6,12,14H,2-4,7-11,13H2,1H3,(H,28,31)/t14-/m0/s1.
What are the key properties of 8-(1,1-difluoroethyl)-2-[[(2S)-1,4-dioxan-2-yl]methyl]-N-(1,3-oxazol-2-ylmethyl)spiro[5H-furo[2,3-g]indazole-4,1'-cyclobutane]-7-carboxamide?
8-(1,1-difluoroethyl)-2-[[(2S)-1,4-dioxan-2-yl]methyl]-N-(1,3-oxazol-2-ylmethyl)spiro[5H-furo[2,3-g]indazole-4,1'-cyclobutane]-7-carboxamide has a molecular weight of 488.49 g/mol, XLogP of 3.57, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(1,1-difluoroethyl)-2-[[(2S)-1,4-dioxan-2-yl]methyl]-N-(1,3-oxazol-2-ylmethyl)spiro[5H-furo[2,3-g]indazole-4,1'-cyclobutane]-7-carboxamide is sourced from PubChem (CID 156517589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).