N,4-dimethyl-7-[4-(trifluoromethyl)phenyl]-4,5,7,9-tetrazatricyclo[6.4.0.02,6]dodeca-1(8),2,5,9,11-pentaene-11-carboxamide

C18H14F3N5O — CID 157038074

IUPACN,4-dimethyl-7-[4-(trifluoromethyl)phenyl]-4,5,7,9-tetrazatricyclo[6.4.0.02,6]dodeca-1(8),2,5,9,11-pentaene-11-carboxamide
SMILESCNC(=O)c1cnc2c(c1)c1cn(C)nc1n2-c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C18H14F3N5O/c1-22-17(27)10-7-13-14-9-25(2)24-16(14)26(15(13)23-8-10)12-5-3-11(4-6-12)18(19,20)21/h3-9H,1-2H3,(H,22,27)
InChIKeyYHBWSWAVARXOAW-UHFFFAOYSA-N
MW373.34 g/mol
LogP3.29
Rot. Bonds2

About N,4-dimethyl-7-[4-(trifluoromethyl)phenyl]-4,5,7,9-tetrazatricyclo[6.4.0.02,6]dodeca-1(8),2,5,9,11-pentaene-11-carboxamide

N,4-dimethyl-7-[4-(trifluoromethyl)phenyl]-4,5,7,9-tetrazatricyclo[6.4.0.02,6]dodeca-1(8),2,5,9,11-pentaene-11-carboxamide (PubChem CID 157038074) has the molecular formula C18H14F3N5O and a molecular weight of 373.34 g/mol. Its IUPAC name is N,4-dimethyl-7-[4-(trifluoromethyl)phenyl]-4,5,7,9-tetrazatricyclo[6.4.0.02,6]dodeca-1(8),2,5,9,11-pentaene-11-carboxamide.

Molecular Properties

Compound NameN,4-dimethyl-7-[4-(trifluoromethyl)phenyl]-4,5,7,9-tetrazatricyclo[6.4.0.02,6]dodeca-1(8),2,5,9,11-pentaene-11-carboxamide
PubChem CID157038074
Molecular FormulaC18H14F3N5O
Molecular Weight373.34 g/mol
Exact Mass373.12
IUPAC NameN,4-dimethyl-7-[4-(trifluoromethyl)phenyl]-4,5,7,9-tetrazatricyclo[6.4.0.02,6]dodeca-1(8),2,5,9,11-pentaene-11-carboxamide
SMILESCNC(=O)c1cnc2c(c1)c1cn(C)nc1n2-c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C18H14F3N5O/c1-22-17(27)10-7-13-14-9-25(2)24-16(14)26(15(13)23-8-10)12-5-3-11(4-6-12)18(19,20)21/h3-9H,1-2H3,(H,22,27)
InChIKeyYHBWSWAVARXOAW-UHFFFAOYSA-N
XLogP3.29
TPSA64.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.34
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N,4-dimethyl-7-[4-(trifluoromethyl)phenyl]-4,5,7,9-tetrazatricyclo[6.4.0.02,6]dodeca-1(8),2,5,9,11-pentaene-11-carboxamide with MolForge

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Related Compounds

N,2-dimethyl-4-[4-(trifluoromethyl)phenyl]pyrazolo[4,3-b]indole-7-carboxamide
CID 157037390
2-methyl-4-[4-(trifluoromethyl)phenyl]pyrazolo[3,4-b]indole-7-carboxamide
CID 157037094
sodium 2-methyl-4-[4-(trifluoromethyl)phenyl]pyrazolo[3,4-b]indole-7-carboxylate
CID 157037365
N-(1-hydroxypropan-2-yl)-2-methyl-4-[4-(trifluoromethyl)phenyl]pyrazolo[3,4-b]indole-7-carboxamide
CID 157037940
N-[(2R)-1-hydroxypropan-2-yl]-2-methyl-4-[4-(trifluoromethyl)phenyl]pyrazolo[3,4-b]indole-7-carboxamide
CID 166838335
2-methyl-N-(pyrimidin-4-ylmethyl)-4-[4-(trifluoromethyl)phenyl]pyrazolo[3,4-b]indole-7-carboxamide
CID 157037895
tert-butyl N-[2-[2-[2-[[2-methyl-4-[4-(trifluoromethyl)phenyl]pyrazolo[3,4-b]indole-7-carbonyl]amino]ethoxy]ethoxy]ethyl]carbamate
CID 157037407
2-methyl-N-(4,5,6,7-tetrahydro-1H-indazol-6-yl)-4-[4-(trifluoromethyl)phenyl]pyrazolo[3,4-b]indole-7-carboxamide
CID 157037524
2-methyl-N-[1-(1H-1,2,4-triazol-5-ylmethyl)cyclopropyl]-4-[4-(trifluoromethyl)phenyl]pyrazolo[3,4-b]indole-7-carboxamide
CID 157037122
N-(3-imidazol-1-ylpropyl)-2-methyl-4-[4-(trifluoromethyl)phenyl]pyrazolo[3,4-b]indole-7-carboxamide
CID 157037964
[2-methyl-4-[4-(trifluoromethyl)phenyl]pyrazolo[3,4-b]indol-7-yl]boronic acid
CID 157037680
2-methyl-N-(1-pyrimidin-4-ylazetidin-3-yl)-4-[4-(trifluoromethyl)phenyl]pyrazolo[3,4-b]indole-7-carboxamide
CID 157038007

Frequently Asked Questions

What is the IUPAC name of N,4-dimethyl-7-[4-(trifluoromethyl)phenyl]-4,5,7,9-tetrazatricyclo[6.4.0.02,6]dodeca-1(8),2,5,9,11-pentaene-11-carboxamide?
The IUPAC name of N,4-dimethyl-7-[4-(trifluoromethyl)phenyl]-4,5,7,9-tetrazatricyclo[6.4.0.02,6]dodeca-1(8),2,5,9,11-pentaene-11-carboxamide (CID 157038074) is N,4-dimethyl-7-[4-(trifluoromethyl)phenyl]-4,5,7,9-tetrazatricyclo[6.4.0.02,6]dodeca-1(8),2,5,9,11-pentaene-11-carboxamide.
What is the SMILES notation for N,4-dimethyl-7-[4-(trifluoromethyl)phenyl]-4,5,7,9-tetrazatricyclo[6.4.0.02,6]dodeca-1(8),2,5,9,11-pentaene-11-carboxamide?
The canonical SMILES for N,4-dimethyl-7-[4-(trifluoromethyl)phenyl]-4,5,7,9-tetrazatricyclo[6.4.0.02,6]dodeca-1(8),2,5,9,11-pentaene-11-carboxamide is CNC(=O)c1cnc2c(c1)c1cn(C)nc1n2-c1ccc(C(F)(F)F)cc1.
What is the InChIKey of N,4-dimethyl-7-[4-(trifluoromethyl)phenyl]-4,5,7,9-tetrazatricyclo[6.4.0.02,6]dodeca-1(8),2,5,9,11-pentaene-11-carboxamide?
The InChIKey is YHBWSWAVARXOAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14F3N5O/c1-22-17(27)10-7-13-14-9-25(2)24-16(14)26(15(13)23-8-10)12-5-3-11(4-6-12)18(19,20)21/h3-9H,1-2H3,(H,22,27).
What are the key properties of N,4-dimethyl-7-[4-(trifluoromethyl)phenyl]-4,5,7,9-tetrazatricyclo[6.4.0.02,6]dodeca-1(8),2,5,9,11-pentaene-11-carboxamide?
N,4-dimethyl-7-[4-(trifluoromethyl)phenyl]-4,5,7,9-tetrazatricyclo[6.4.0.02,6]dodeca-1(8),2,5,9,11-pentaene-11-carboxamide has a molecular weight of 373.34 g/mol, XLogP of 3.29, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,4-dimethyl-7-[4-(trifluoromethyl)phenyl]-4,5,7,9-tetrazatricyclo[6.4.0.02,6]dodeca-1(8),2,5,9,11-pentaene-11-carboxamide is sourced from PubChem (CID 157038074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).