4-methyl-12-[1-[4-(trifluoromethyl)-1H-indol-2-yl]ethyl]spiro[4,7,8,12-tetrazatricyclo[7.4.0.02,7]trideca-1,8-diene-5,1'-cyclopropane]-3-one

C23H24F3N5O — CID 165164864

IUPAC4-methyl-12-[1-[4-(trifluoromethyl)-1H-indol-2-yl]ethyl]spiro[4,7,8,12-tetrazatricyclo[7.4.0.02,7]trideca-1,8-diene-5,1'-cyclopropane]-3-one
SMILESCC(c1cc2c(C(F)(F)F)cccc2[nH]1)N1CCc2nn3c(c2C1)C(=O)N(C)C1(CC1)C3
InChIInChI=1S/C23H24F3N5O/c1-13(19-10-14-16(23(24,25)26)4-3-5-17(14)27-19)30-9-6-18-15(11-30)20-21(32)29(2)22(7-8-22)12-31(20)28-18/h3-5,10,13,27H,6-9,11-12H2,1-2H3
InChIKeyWOINRKUPVCWDQR-UHFFFAOYSA-N
MW443.47 g/mol
LogP4.12
Rot. Bonds2

About 4-methyl-12-[1-[4-(trifluoromethyl)-1H-indol-2-yl]ethyl]spiro[4,7,8,12-tetrazatricyclo[7.4.0.02,7]trideca-1,8-diene-5,1'-cyclopropane]-3-one

4-methyl-12-[1-[4-(trifluoromethyl)-1H-indol-2-yl]ethyl]spiro[4,7,8,12-tetrazatricyclo[7.4.0.02,7]trideca-1,8-diene-5,1'-cyclopropane]-3-one (PubChem CID 165164864) has the molecular formula C23H24F3N5O and a molecular weight of 443.47 g/mol. Its IUPAC name is 4-methyl-12-[1-[4-(trifluoromethyl)-1H-indol-2-yl]ethyl]spiro[4,7,8,12-tetrazatricyclo[7.4.0.02,7]trideca-1,8-diene-5,1'-cyclopropane]-3-one.

Molecular Properties

Compound Name4-methyl-12-[1-[4-(trifluoromethyl)-1H-indol-2-yl]ethyl]spiro[4,7,8,12-tetrazatricyclo[7.4.0.02,7]trideca-1,8-diene-5,1'-cyclopropane]-3-one
PubChem CID165164864
Molecular FormulaC23H24F3N5O
Molecular Weight443.47 g/mol
Exact Mass443.19
IUPAC Name4-methyl-12-[1-[4-(trifluoromethyl)-1H-indol-2-yl]ethyl]spiro[4,7,8,12-tetrazatricyclo[7.4.0.02,7]trideca-1,8-diene-5,1'-cyclopropane]-3-one
SMILESCC(c1cc2c(C(F)(F)F)cccc2[nH]1)N1CCc2nn3c(c2C1)C(=O)N(C)C1(CC1)C3
InChIInChI=1S/C23H24F3N5O/c1-13(19-10-14-16(23(24,25)26)4-3-5-17(14)27-19)30-9-6-18-15(11-30)20-21(32)29(2)22(7-8-22)12-31(20)28-18/h3-5,10,13,27H,6-9,11-12H2,1-2H3
InChIKeyWOINRKUPVCWDQR-UHFFFAOYSA-N
XLogP4.12
TPSA57.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.47
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-methyl-12-[1-[4-(trifluoromethyl)-1H-indol-2-yl]ethyl]spiro[4,7,8,12-tetrazatricyclo[7.4.0.02,7]trideca-1,8-diene-5,1'-cyclopropane]-3-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-12-[1-[4-(trifluoromethyl)-1H-indol-2-yl]ethyl]spiro[4,7,8,12-tetrazatricyclo[7.4.0.02,7]trideca-1,8-diene-5,1'-cyclopropane]-3-one?
The IUPAC name of 4-methyl-12-[1-[4-(trifluoromethyl)-1H-indol-2-yl]ethyl]spiro[4,7,8,12-tetrazatricyclo[7.4.0.02,7]trideca-1,8-diene-5,1'-cyclopropane]-3-one (CID 165164864) is 4-methyl-12-[1-[4-(trifluoromethyl)-1H-indol-2-yl]ethyl]spiro[4,7,8,12-tetrazatricyclo[7.4.0.02,7]trideca-1,8-diene-5,1'-cyclopropane]-3-one.
What is the SMILES notation for 4-methyl-12-[1-[4-(trifluoromethyl)-1H-indol-2-yl]ethyl]spiro[4,7,8,12-tetrazatricyclo[7.4.0.02,7]trideca-1,8-diene-5,1'-cyclopropane]-3-one?
The canonical SMILES for 4-methyl-12-[1-[4-(trifluoromethyl)-1H-indol-2-yl]ethyl]spiro[4,7,8,12-tetrazatricyclo[7.4.0.02,7]trideca-1,8-diene-5,1'-cyclopropane]-3-one is CC(c1cc2c(C(F)(F)F)cccc2[nH]1)N1CCc2nn3c(c2C1)C(=O)N(C)C1(CC1)C3.
What is the InChIKey of 4-methyl-12-[1-[4-(trifluoromethyl)-1H-indol-2-yl]ethyl]spiro[4,7,8,12-tetrazatricyclo[7.4.0.02,7]trideca-1,8-diene-5,1'-cyclopropane]-3-one?
The InChIKey is WOINRKUPVCWDQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24F3N5O/c1-13(19-10-14-16(23(24,25)26)4-3-5-17(14)27-19)30-9-6-18-15(11-30)20-21(32)29(2)22(7-8-22)12-31(20)28-18/h3-5,10,13,27H,6-9,11-12H2,1-2H3.
What are the key properties of 4-methyl-12-[1-[4-(trifluoromethyl)-1H-indol-2-yl]ethyl]spiro[4,7,8,12-tetrazatricyclo[7.4.0.02,7]trideca-1,8-diene-5,1'-cyclopropane]-3-one?
4-methyl-12-[1-[4-(trifluoromethyl)-1H-indol-2-yl]ethyl]spiro[4,7,8,12-tetrazatricyclo[7.4.0.02,7]trideca-1,8-diene-5,1'-cyclopropane]-3-one has a molecular weight of 443.47 g/mol, XLogP of 4.12, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-12-[1-[4-(trifluoromethyl)-1H-indol-2-yl]ethyl]spiro[4,7,8,12-tetrazatricyclo[7.4.0.02,7]trideca-1,8-diene-5,1'-cyclopropane]-3-one is sourced from PubChem (CID 165164864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).