N-[[4-[2-[(2,2-difluoroacetyl)amino]acetyl]-2-fluorophenyl]methyl]-2-ethyl-N-(1-methylindazol-6-yl)-2,7-diazaspiro[3.5]nonane-7-carboxamide;N-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-fluorophenyl]methyl]-2-ethyl-N-(1-methylindazol-6-yl)-2,7-diazaspiro[3.5]nonane-7-carboxamide

C57H63F6N13O5 — CID 158382543

About N-[[4-[2-[(2,2-difluoroacetyl)amino]acetyl]-2-fluorophenyl]methyl]-2-ethyl-N-(1-methylindazol-6-yl)-2,7-diazaspiro[3.5]nonane-7-carboxamide;N-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-fluorophenyl]methyl]-2-ethyl-N-(1-methylindazol-6-yl)-2,7-diazaspiro[3.5]nonane-7-carboxamide

N-[[4-[2-[(2,2-difluoroacetyl)amino]acetyl]-2-fluorophenyl]methyl]-2-ethyl-N-(1-methylindazol-6-yl)-2,7-diazaspiro[3.5]nonane-7-carboxamide;N-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-fluorophenyl]methyl]-2-ethyl-N-(1-methylindazol-6-yl)-2,7-diazaspiro[3.5]nonane-7-carboxamide (PubChem CID 158382543) has the molecular formula C57H63F6N13O5 and a molecular weight of 1124.20 g/mol. Its IUPAC name is N-[[4-[2-[(2,2-difluoroacetyl)amino]acetyl]-2-fluorophenyl]methyl]-2-ethyl-N-(1-methylindazol-6-yl)-2,7-diazaspiro[3.5]nonane-7-carboxamide;N-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-fluorophenyl]methyl]-2-ethyl-N-(1-methylindazol-6-yl)-2,7-diazaspiro[3.5]nonane-7-carboxamide.

Molecular Properties

• Compound Name: N-[[4-[2-[(2,2-difluoroacetyl)amino]acetyl]-2-fluorophenyl]methyl]-2-ethyl-N-(1-methylindazol-6-yl)-2,7-diazaspiro[3.5]nonane-7-carboxamide;N-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-fluorophenyl]methyl]-2-ethyl-N-(1-methylindazol-6-yl)-2,7-diazaspiro[3.5]nonane-7-carboxamide
• PubChem CID: 158382543
• Molecular Formula: C57H63F6N13O5
• Molecular Weight: 1124.20 g/mol
• Exact Mass: 1123.50
• IUPAC Name: N-[[4-[2-[(2,2-difluoroacetyl)amino]acetyl]-2-fluorophenyl]methyl]-2-ethyl-N-(1-methylindazol-6-yl)-2,7-diazaspiro[3.5]nonane-7-carboxamide;N-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-fluorophenyl]methyl]-2-ethyl-N-(1-methylindazol-6-yl)-2,7-diazaspiro[3.5]nonane-7-carboxamide
• SMILES: CCN1CC2(CCN(C(=O)N(Cc3ccc(-c4nnc(C(F)F)o4)cc3F)c3ccc4cnn(C)c4c3)CC2)C1.CCN1CC2(CCN(C(=O)N(Cc3ccc(C(=O)CNC(=O)C(F)F)cc3F)c3ccc4cnn(C)c4c3)CC2)C1
• InChI: InChI=1S/C29H33F3N6O3.C28H30F3N7O2/c1-3-36-17-29(18-36)8-10-37(11-9-29)28(41)38(22-7-6-20-14-34-35(2)24(20)13-22)16-21-5-4-19(12-23(21)30)25(39)15-33-27(40)26(31)32;1-3-36-16-28(17-36)8-10-37(11-9-28)27(39)38(21-7-6-19-14-32-35(2)23(19)13-21)15-20-5-4-18(12-22(20)29)25-33-34-26(40-25)24(30)31/h4-7,12-14,26H,3,8-11,15-18H2,1-2H3,(H,33,40);4-7,12-14,24H,3,8-11,15-17H2,1-2H3
• InChIKey: GVYZSNZLNDGMEV-UHFFFAOYSA-N
• XLogP: 9.06
• TPSA: 174.31 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 13
• Rotatable Bonds: 14
• Heavy Atoms: 81
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1124.20
LogP ≤ 5	9.06
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	13

Frequently Asked Questions

What is the IUPAC name of N-[[4-[2-[(2,2-difluoroacetyl)amino]acetyl]-2-fluorophenyl]methyl]-2-ethyl-N-(1-methylindazol-6-yl)-2,7-diazaspiro[3.5]nonane-7-carboxamide;N-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-fluorophenyl]methyl]-2-ethyl-N-(1-methylindazol-6-yl)-2,7-diazaspiro[3.5]nonane-7-carboxamide?

The IUPAC name of N-[[4-[2-[(2,2-difluoroacetyl)amino]acetyl]-2-fluorophenyl]methyl]-2-ethyl-N-(1-methylindazol-6-yl)-2,7-diazaspiro[3.5]nonane-7-carboxamide;N-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-fluorophenyl]methyl]-2-ethyl-N-(1-methylindazol-6-yl)-2,7-diazaspiro[3.5]nonane-7-carboxamide (CID 158382543) is N-[[4-[2-[(2,2-difluoroacetyl)amino]acetyl]-2-fluorophenyl]methyl]-2-ethyl-N-(1-methylindazol-6-yl)-2,7-diazaspiro[3.5]nonane-7-carboxamide;N-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-fluorophenyl]methyl]-2-ethyl-N-(1-methylindazol-6-yl)-2,7-diazaspiro[3.5]nonane-7-carboxamide.

What is the SMILES notation for N-[[4-[2-[(2,2-difluoroacetyl)amino]acetyl]-2-fluorophenyl]methyl]-2-ethyl-N-(1-methylindazol-6-yl)-2,7-diazaspiro[3.5]nonane-7-carboxamide;N-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-fluorophenyl]methyl]-2-ethyl-N-(1-methylindazol-6-yl)-2,7-diazaspiro[3.5]nonane-7-carboxamide?

The canonical SMILES for N-[[4-[2-[(2,2-difluoroacetyl)amino]acetyl]-2-fluorophenyl]methyl]-2-ethyl-N-(1-methylindazol-6-yl)-2,7-diazaspiro[3.5]nonane-7-carboxamide;N-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-fluorophenyl]methyl]-2-ethyl-N-(1-methylindazol-6-yl)-2,7-diazaspiro[3.5]nonane-7-carboxamide is CCN1CC2(CCN(C(=O)N(Cc3ccc(-c4nnc(C(F)F)o4)cc3F)c3ccc4cnn(C)c4c3)CC2)C1.CCN1CC2(CCN(C(=O)N(Cc3ccc(C(=O)CNC(=O)C(F)F)cc3F)c3ccc4cnn(C)c4c3)CC2)C1.

What is the InChIKey of N-[[4-[2-[(2,2-difluoroacetyl)amino]acetyl]-2-fluorophenyl]methyl]-2-ethyl-N-(1-methylindazol-6-yl)-2,7-diazaspiro[3.5]nonane-7-carboxamide;N-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-fluorophenyl]methyl]-2-ethyl-N-(1-methylindazol-6-yl)-2,7-diazaspiro[3.5]nonane-7-carboxamide?

The InChIKey is GVYZSNZLNDGMEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H33F3N6O3.C28H30F3N7O2/c1-3-36-17-29(18-36)8-10-37(11-9-29)28(41)38(22-7-6-20-14-34-35(2)24(20)13-22)16-21-5-4-19(12-23(21)30)25(39)15-33-27(40)26(31)32;1-3-36-16-28(17-36)8-10-37(11-9-28)27(39)38(21-7-6-19-14-32-35(2)23(19)13-21)15-20-5-4-18(12-22(20)29)25-33-34-26(40-25)24(30)31/h4-7,12-14,26H,3,8-11,15-18H2,1-2H3,(H,33,40);4-7,12-14,24H,3,8-11,15-17H2,1-2H3.

What are the key properties of N-[[4-[2-[(2,2-difluoroacetyl)amino]acetyl]-2-fluorophenyl]methyl]-2-ethyl-N-(1-methylindazol-6-yl)-2,7-diazaspiro[3.5]nonane-7-carboxamide;N-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-fluorophenyl]methyl]-2-ethyl-N-(1-methylindazol-6-yl)-2,7-diazaspiro[3.5]nonane-7-carboxamide?

N-[[4-[2-[(2,2-difluoroacetyl)amino]acetyl]-2-fluorophenyl]methyl]-2-ethyl-N-(1-methylindazol-6-yl)-2,7-diazaspiro[3.5]nonane-7-carboxamide;N-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-fluorophenyl]methyl]-2-ethyl-N-(1-methylindazol-6-yl)-2,7-diazaspiro[3.5]nonane-7-carboxamide has a molecular weight of 1124.20 g/mol, XLogP of 9.06, 14 rotatable bonds, 1 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for N-[[4-[2-[(2,2-difluoroacetyl)amino]acetyl]-2-fluorophenyl]methyl]-2-ethyl-N-(1-methylindazol-6-yl)-2,7-diazaspiro[3.5]nonane-7-carboxamide;N-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-fluorophenyl]methyl]-2-ethyl-N-(1-methylindazol-6-yl)-2,7-diazaspiro[3.5]nonane-7-carboxamide is sourced from PubChem (CID 158382543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).