1-ethyl-2-methyl-N-[[(1R,5S)-8-[2-oxo-2-[[1-(trifluoromethyl)cyclopropyl]amino]ethyl]-8-azabicyclo[3.2.1]octan-3-yl]methyl]indole-3-carboxamide

C26H33F3N4O2 — CID 130191226

IUPAC1-ethyl-2-methyl-N-[[(1R,5S)-8-[2-oxo-2-[[1-(trifluoromethyl)cyclopropyl]amino]ethyl]-8-azabicyclo[3.2.1]octan-3-yl]methyl]indole-3-carboxamide
SMILESCCn1c(C)c(C(=O)NCC2C[C@H]3CC[C@@H](C2)N3CC(=O)NC2(C(F)(F)F)CC2)c2ccccc21
InChIInChI=1S/C26H33F3N4O2/c1-3-32-16(2)23(20-6-4-5-7-21(20)32)24(35)30-14-17-12-18-8-9-19(13-17)33(18)15-22(34)31-25(10-11-25)26(27,28)29/h4-7,17-19H,3,8-15H2,1-2H3,(H,30,35)(H,31,34)/t17?,18-,19+
InChIKeyNZZVJVXKJLRPPH-YQQQUEKLSA-N
MW490.57 g/mol
LogP4.15
Rot. Bonds7

About 1-ethyl-2-methyl-N-[[(1R,5S)-8-[2-oxo-2-[[1-(trifluoromethyl)cyclopropyl]amino]ethyl]-8-azabicyclo[3.2.1]octan-3-yl]methyl]indole-3-carboxamide

1-ethyl-2-methyl-N-[[(1R,5S)-8-[2-oxo-2-[[1-(trifluoromethyl)cyclopropyl]amino]ethyl]-8-azabicyclo[3.2.1]octan-3-yl]methyl]indole-3-carboxamide (PubChem CID 130191226) has the molecular formula C26H33F3N4O2 and a molecular weight of 490.57 g/mol. Its IUPAC name is 1-ethyl-2-methyl-N-[[(1R,5S)-8-[2-oxo-2-[[1-(trifluoromethyl)cyclopropyl]amino]ethyl]-8-azabicyclo[3.2.1]octan-3-yl]methyl]indole-3-carboxamide.

Molecular Properties

Compound Name1-ethyl-2-methyl-N-[[(1R,5S)-8-[2-oxo-2-[[1-(trifluoromethyl)cyclopropyl]amino]ethyl]-8-azabicyclo[3.2.1]octan-3-yl]methyl]indole-3-carboxamide
PubChem CID130191226
Molecular FormulaC26H33F3N4O2
Molecular Weight490.57 g/mol
Exact Mass490.26
IUPAC Name1-ethyl-2-methyl-N-[[(1R,5S)-8-[2-oxo-2-[[1-(trifluoromethyl)cyclopropyl]amino]ethyl]-8-azabicyclo[3.2.1]octan-3-yl]methyl]indole-3-carboxamide
SMILESCCn1c(C)c(C(=O)NCC2C[C@H]3CC[C@@H](C2)N3CC(=O)NC2(C(F)(F)F)CC2)c2ccccc21
InChIInChI=1S/C26H33F3N4O2/c1-3-32-16(2)23(20-6-4-5-7-21(20)32)24(35)30-14-17-12-18-8-9-19(13-17)33(18)15-22(34)31-25(10-11-25)26(27,28)29/h4-7,17-19H,3,8-15H2,1-2H3,(H,30,35)(H,31,34)/t17?,18-,19+
InChIKeyNZZVJVXKJLRPPH-YQQQUEKLSA-N
XLogP4.15
TPSA66.37 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.57
LogP ≤ 54.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-ethyl-2-methyl-N-[[(1R,5S)-8-[2-oxo-2-[[1-(trifluoromethyl)cyclopropyl]amino]ethyl]-8-azabicyclo[3.2.1]octan-3-yl]methyl]indole-3-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-2-methyl-N-[[(1R,5S)-8-[2-oxo-2-[[1-(trifluoromethyl)cyclopropyl]amino]ethyl]-8-azabicyclo[3.2.1]octan-3-yl]methyl]indole-3-carboxamide?
The IUPAC name of 1-ethyl-2-methyl-N-[[(1R,5S)-8-[2-oxo-2-[[1-(trifluoromethyl)cyclopropyl]amino]ethyl]-8-azabicyclo[3.2.1]octan-3-yl]methyl]indole-3-carboxamide (CID 130191226) is 1-ethyl-2-methyl-N-[[(1R,5S)-8-[2-oxo-2-[[1-(trifluoromethyl)cyclopropyl]amino]ethyl]-8-azabicyclo[3.2.1]octan-3-yl]methyl]indole-3-carboxamide.
What is the SMILES notation for 1-ethyl-2-methyl-N-[[(1R,5S)-8-[2-oxo-2-[[1-(trifluoromethyl)cyclopropyl]amino]ethyl]-8-azabicyclo[3.2.1]octan-3-yl]methyl]indole-3-carboxamide?
The canonical SMILES for 1-ethyl-2-methyl-N-[[(1R,5S)-8-[2-oxo-2-[[1-(trifluoromethyl)cyclopropyl]amino]ethyl]-8-azabicyclo[3.2.1]octan-3-yl]methyl]indole-3-carboxamide is CCn1c(C)c(C(=O)NCC2C[C@H]3CC[C@@H](C2)N3CC(=O)NC2(C(F)(F)F)CC2)c2ccccc21.
What is the InChIKey of 1-ethyl-2-methyl-N-[[(1R,5S)-8-[2-oxo-2-[[1-(trifluoromethyl)cyclopropyl]amino]ethyl]-8-azabicyclo[3.2.1]octan-3-yl]methyl]indole-3-carboxamide?
The InChIKey is NZZVJVXKJLRPPH-YQQQUEKLSA-N. The full InChI is InChI=1S/C26H33F3N4O2/c1-3-32-16(2)23(20-6-4-5-7-21(20)32)24(35)30-14-17-12-18-8-9-19(13-17)33(18)15-22(34)31-25(10-11-25)26(27,28)29/h4-7,17-19H,3,8-15H2,1-2H3,(H,30,35)(H,31,34)/t17?,18-,19+.
What are the key properties of 1-ethyl-2-methyl-N-[[(1R,5S)-8-[2-oxo-2-[[1-(trifluoromethyl)cyclopropyl]amino]ethyl]-8-azabicyclo[3.2.1]octan-3-yl]methyl]indole-3-carboxamide?
1-ethyl-2-methyl-N-[[(1R,5S)-8-[2-oxo-2-[[1-(trifluoromethyl)cyclopropyl]amino]ethyl]-8-azabicyclo[3.2.1]octan-3-yl]methyl]indole-3-carboxamide has a molecular weight of 490.57 g/mol, XLogP of 4.15, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-2-methyl-N-[[(1R,5S)-8-[2-oxo-2-[[1-(trifluoromethyl)cyclopropyl]amino]ethyl]-8-azabicyclo[3.2.1]octan-3-yl]methyl]indole-3-carboxamide is sourced from PubChem (CID 130191226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).