N-(3,4-difluorophenyl)-4-methyl-3-oxospiro[4,7,8,12-tetrazatricyclo[7.4.0.02,7]trideca-1,8-diene-5,1'-cyclopropane]-12-carboxamide

C19H19F2N5O2 — CID 155262214

IUPACN-(3,4-difluorophenyl)-4-methyl-3-oxospiro[4,7,8,12-tetrazatricyclo[7.4.0.02,7]trideca-1,8-diene-5,1'-cyclopropane]-12-carboxamide
SMILESCN1C(=O)c2c3c(nn2CC12CC2)CCN(C(=O)Nc1ccc(F)c(F)c1)C3
InChIInChI=1S/C19H19F2N5O2/c1-24-17(27)16-12-9-25(18(28)22-11-2-3-13(20)14(21)8-11)7-4-15(12)23-26(16)10-19(24)5-6-19/h2-3,8H,4-7,9-10H2,1H3,(H,22,28)
InChIKeyIJXOILMLHVRPQH-UHFFFAOYSA-N
MW387.39 g/mol
LogP2.37
Rot. Bonds1

About N-(3,4-difluorophenyl)-4-methyl-3-oxospiro[4,7,8,12-tetrazatricyclo[7.4.0.02,7]trideca-1,8-diene-5,1'-cyclopropane]-12-carboxamide

N-(3,4-difluorophenyl)-4-methyl-3-oxospiro[4,7,8,12-tetrazatricyclo[7.4.0.02,7]trideca-1,8-diene-5,1'-cyclopropane]-12-carboxamide (PubChem CID 155262214) has the molecular formula C19H19F2N5O2 and a molecular weight of 387.39 g/mol. Its IUPAC name is N-(3,4-difluorophenyl)-4-methyl-3-oxospiro[4,7,8,12-tetrazatricyclo[7.4.0.02,7]trideca-1,8-diene-5,1'-cyclopropane]-12-carboxamide.

Molecular Properties

Compound NameN-(3,4-difluorophenyl)-4-methyl-3-oxospiro[4,7,8,12-tetrazatricyclo[7.4.0.02,7]trideca-1,8-diene-5,1'-cyclopropane]-12-carboxamide
PubChem CID155262214
Molecular FormulaC19H19F2N5O2
Molecular Weight387.39 g/mol
Exact Mass387.15
IUPAC NameN-(3,4-difluorophenyl)-4-methyl-3-oxospiro[4,7,8,12-tetrazatricyclo[7.4.0.02,7]trideca-1,8-diene-5,1'-cyclopropane]-12-carboxamide
SMILESCN1C(=O)c2c3c(nn2CC12CC2)CCN(C(=O)Nc1ccc(F)c(F)c1)C3
InChIInChI=1S/C19H19F2N5O2/c1-24-17(27)16-12-9-25(18(28)22-11-2-3-13(20)14(21)8-11)7-4-15(12)23-26(16)10-19(24)5-6-19/h2-3,8H,4-7,9-10H2,1H3,(H,22,28)
InChIKeyIJXOILMLHVRPQH-UHFFFAOYSA-N
XLogP2.37
TPSA70.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.39
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(3,4-difluorophenyl)-4-methyl-3-oxospiro[4,7,8,12-tetrazatricyclo[7.4.0.02,7]trideca-1,8-diene-5,1'-cyclopropane]-12-carboxamide with MolForge

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Related Compounds

N-(3-cyano-4-fluorophenyl)-11,11,13-trimethyl-14-oxo-4,8,9,13-tetrazatricyclo[7.5.0.02,7]tetradeca-1,7-diene-4-carboxamide
CID 145435035
12-[(3-chloro-4-fluorophenyl)carbamoyl]-4-methyl-3-oxo-4,7,8,12-tetrazatricyclo[7.4.0.02,7]trideca-1,8-diene-5-carboxylic acid
CID 145434948
N-(3-chloro-4-fluorophenyl)-11,13-dimethyl-14-oxo-4,8,9,13-tetrazatricyclo[7.5.0.02,7]tetradeca-1,7-diene-4-carboxamide
CID 146670656
methyl 4-[(3-chloro-4-fluorophenyl)carbamoyl]-13-methyl-14-oxo-4,8,9,13-tetrazatricyclo[7.5.0.02,7]tetradeca-1,7-diene-12-carboxylate
CID 145435046
N-(4-fluoro-3-isocyanophenyl)-11-hydroxy-13-methyl-14-oxo-11-phenyl-4,8,9,13-tetrazatricyclo[7.5.0.02,7]tetradeca-1,7-diene-4-carboxamide
CID 164809953
12-(6-chloro-5-fluoro-1H-indole-2-carbonyl)-4-methylspiro[4,7,8,12-tetrazatricyclo[7.4.0.02,7]trideca-1,8-diene-5,1'-cyclopropane]-3-one
CID 155259928
N-(3-cyano-4-fluorophenyl)-12-(2-hydroxypropyl)-13-methyl-14-oxo-4,8,9,12,13-pentazatricyclo[7.5.0.02,7]tetradeca-1,7-diene-4-carboxamide
CID 154933239
11-[(3,3-difluoropyrrolidin-1-yl)methyl]-N-[4-fluoro-3-(trifluoromethyl)phenyl]-13-methyl-14-oxo-4,8,9,13-tetrazatricyclo[7.5.0.02,7]tetradeca-1,7-diene-4-carboxamide
CID 145435025
N-(4-fluoro-3-methylphenyl)-13-methyl-11-(methylaminomethyl)-14-oxo-4,8,9,13-tetrazatricyclo[7.5.0.02,7]tetradeca-1,7-diene-4-carboxamide
CID 146715834
N-(3-chloro-4-fluorophenyl)-11-(1-hydroxybutyl)-13-methyl-14-oxo-4,8,9,13-tetrazatricyclo[7.5.0.02,7]tetradeca-1,7-diene-4-carboxamide
CID 145434936
N-(3-chloro-4-fluorophenyl)-11-(3,3-difluoro-1-hydroxypropyl)-13-methyl-14-oxo-4,8,9,13-tetrazatricyclo[7.5.0.02,7]tetradeca-1,7-diene-4-carboxamide
CID 145434861
N-(3-chloro-4-fluorophenyl)-13-methyl-14-oxo-11-piperidin-1-yl-4,8,9,13-tetrazatricyclo[7.5.0.02,7]tetradeca-1,7-diene-4-carboxamide
CID 145435090

Frequently Asked Questions

What is the IUPAC name of N-(3,4-difluorophenyl)-4-methyl-3-oxospiro[4,7,8,12-tetrazatricyclo[7.4.0.02,7]trideca-1,8-diene-5,1'-cyclopropane]-12-carboxamide?
The IUPAC name of N-(3,4-difluorophenyl)-4-methyl-3-oxospiro[4,7,8,12-tetrazatricyclo[7.4.0.02,7]trideca-1,8-diene-5,1'-cyclopropane]-12-carboxamide (CID 155262214) is N-(3,4-difluorophenyl)-4-methyl-3-oxospiro[4,7,8,12-tetrazatricyclo[7.4.0.02,7]trideca-1,8-diene-5,1'-cyclopropane]-12-carboxamide.
What is the SMILES notation for N-(3,4-difluorophenyl)-4-methyl-3-oxospiro[4,7,8,12-tetrazatricyclo[7.4.0.02,7]trideca-1,8-diene-5,1'-cyclopropane]-12-carboxamide?
The canonical SMILES for N-(3,4-difluorophenyl)-4-methyl-3-oxospiro[4,7,8,12-tetrazatricyclo[7.4.0.02,7]trideca-1,8-diene-5,1'-cyclopropane]-12-carboxamide is CN1C(=O)c2c3c(nn2CC12CC2)CCN(C(=O)Nc1ccc(F)c(F)c1)C3.
What is the InChIKey of N-(3,4-difluorophenyl)-4-methyl-3-oxospiro[4,7,8,12-tetrazatricyclo[7.4.0.02,7]trideca-1,8-diene-5,1'-cyclopropane]-12-carboxamide?
The InChIKey is IJXOILMLHVRPQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19F2N5O2/c1-24-17(27)16-12-9-25(18(28)22-11-2-3-13(20)14(21)8-11)7-4-15(12)23-26(16)10-19(24)5-6-19/h2-3,8H,4-7,9-10H2,1H3,(H,22,28).
What are the key properties of N-(3,4-difluorophenyl)-4-methyl-3-oxospiro[4,7,8,12-tetrazatricyclo[7.4.0.02,7]trideca-1,8-diene-5,1'-cyclopropane]-12-carboxamide?
N-(3,4-difluorophenyl)-4-methyl-3-oxospiro[4,7,8,12-tetrazatricyclo[7.4.0.02,7]trideca-1,8-diene-5,1'-cyclopropane]-12-carboxamide has a molecular weight of 387.39 g/mol, XLogP of 2.37, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-difluorophenyl)-4-methyl-3-oxospiro[4,7,8,12-tetrazatricyclo[7.4.0.02,7]trideca-1,8-diene-5,1'-cyclopropane]-12-carboxamide is sourced from PubChem (CID 155262214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).