(1S,10R)-5-methyl-7-oxo-N-[2-(trifluoromethyl)phenyl]-4,6,13-triazatricyclo[8.2.1.03,8]trideca-3(8),4-diene-13-carboxamide

C19H19F3N4O2 — CID 137256776

IUPAC(1S,10R)-5-methyl-7-oxo-N-[2-(trifluoromethyl)phenyl]-4,6,13-triazatricyclo[8.2.1.03,8]trideca-3(8),4-diene-13-carboxamide
SMILESCc1nc2c(c(=O)[nH]1)C[C@H]1CC[C@@H](C2)N1C(=O)Nc1ccccc1C(F)(F)F
InChIInChI=1S/C19H19F3N4O2/c1-10-23-16-9-12-7-6-11(8-13(16)17(27)24-10)26(12)18(28)25-15-5-3-2-4-14(15)19(20,21)22/h2-5,11-12H,6-9H2,1H3,(H,25,28)(H,23,24,27)/t11-,12+/m1/s1
InChIKeyPFDCBVKXXMRWTI-NEPJUHHUSA-N
MW392.38 g/mol
LogP3.26
Rot. Bonds1

About (1S,10R)-5-methyl-7-oxo-N-[2-(trifluoromethyl)phenyl]-4,6,13-triazatricyclo[8.2.1.03,8]trideca-3(8),4-diene-13-carboxamide

(1S,10R)-5-methyl-7-oxo-N-[2-(trifluoromethyl)phenyl]-4,6,13-triazatricyclo[8.2.1.03,8]trideca-3(8),4-diene-13-carboxamide (PubChem CID 137256776) has the molecular formula C19H19F3N4O2 and a molecular weight of 392.38 g/mol. Its IUPAC name is (1S,10R)-5-methyl-7-oxo-N-[2-(trifluoromethyl)phenyl]-4,6,13-triazatricyclo[8.2.1.03,8]trideca-3(8),4-diene-13-carboxamide.

Molecular Properties

Compound Name(1S,10R)-5-methyl-7-oxo-N-[2-(trifluoromethyl)phenyl]-4,6,13-triazatricyclo[8.2.1.03,8]trideca-3(8),4-diene-13-carboxamide
PubChem CID137256776
Molecular FormulaC19H19F3N4O2
Molecular Weight392.38 g/mol
Exact Mass392.15
IUPAC Name(1S,10R)-5-methyl-7-oxo-N-[2-(trifluoromethyl)phenyl]-4,6,13-triazatricyclo[8.2.1.03,8]trideca-3(8),4-diene-13-carboxamide
SMILESCc1nc2c(c(=O)[nH]1)C[C@H]1CC[C@@H](C2)N1C(=O)Nc1ccccc1C(F)(F)F
InChIInChI=1S/C19H19F3N4O2/c1-10-23-16-9-12-7-6-11(8-13(16)17(27)24-10)26(12)18(28)25-15-5-3-2-4-14(15)19(20,21)22/h2-5,11-12H,6-9H2,1H3,(H,25,28)(H,23,24,27)/t11-,12+/m1/s1
InChIKeyPFDCBVKXXMRWTI-NEPJUHHUSA-N
XLogP3.26
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.38
LogP ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (1S,10R)-5-methyl-7-oxo-N-[2-(trifluoromethyl)phenyl]-4,6,13-triazatricyclo[8.2.1.03,8]trideca-3(8),4-diene-13-carboxamide with MolForge

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Related Compounds

(1S,10R)-5-methyl-N-[(4-methylphenyl)methyl]-7-oxo-4,6,13-triazatricyclo[8.2.1.03,8]trideca-3(8),4-diene-13-carboxamide
CID 137256777
N-[2-(trifluoromethyl)phenyl]-8-azabicyclo[3.2.1]oct-2-ene-8-carboxamide
CID 90627334
(1R,10S)-5-methyl-13-[(3S)-1-(2-methylphenyl)-5-oxopyrrolidine-3-carbonyl]-4,6,13-triazatricyclo[8.2.1.03,8]trideca-3(8),4-dien-7-one
CID 136763372
3-[3-(5-methyl-7-oxo-4,6,13-triazatricyclo[8.2.1.03,8]trideca-3(8),4-dien-13-yl)-3-oxopropyl]-1,3-benzoxazol-2-one
CID 136816239
3-[3-[(1R,10S)-5-methyl-7-oxo-4,6,13-triazatricyclo[8.2.1.03,8]trideca-3(8),4-dien-13-yl]-3-oxopropyl]-1,3-benzoxazol-2-one
CID 136763863
2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N'-[2-(trifluoromethyl)phenyl]acetohydrazide
CID 135931990
(1S,10R)-5-methyl-13-[(2R)-spiro[2.3]hexane-2-carbonyl]-4,6,13-triazatricyclo[8.2.1.03,8]trideca-3(8),4-dien-7-one
CID 136763852
2-[(4-fluorophenyl)methyl]-4-oxo-N-[2-(trifluoromethyl)phenyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidine-6-carboxamide
CID 137255496
N-(2-tert-butylphenyl)-2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)acetamide
CID 136890125
13-(4-ethylphenyl)sulfonyl-5-methyl-4,6,13-triazatricyclo[8.2.1.03,8]trideca-3(8),4-dien-7-one
CID 156610470
3-amino-N-[2-(trifluoromethyl)phenyl]azetidine-1-carboxamide
CID 63767129
4-(triazol-2-yl)-N-[2-(trifluoromethyl)phenyl]piperidine-1-carboxamide
CID 121165130

Frequently Asked Questions

What is the IUPAC name of (1S,10R)-5-methyl-7-oxo-N-[2-(trifluoromethyl)phenyl]-4,6,13-triazatricyclo[8.2.1.03,8]trideca-3(8),4-diene-13-carboxamide?
The IUPAC name of (1S,10R)-5-methyl-7-oxo-N-[2-(trifluoromethyl)phenyl]-4,6,13-triazatricyclo[8.2.1.03,8]trideca-3(8),4-diene-13-carboxamide (CID 137256776) is (1S,10R)-5-methyl-7-oxo-N-[2-(trifluoromethyl)phenyl]-4,6,13-triazatricyclo[8.2.1.03,8]trideca-3(8),4-diene-13-carboxamide.
What is the SMILES notation for (1S,10R)-5-methyl-7-oxo-N-[2-(trifluoromethyl)phenyl]-4,6,13-triazatricyclo[8.2.1.03,8]trideca-3(8),4-diene-13-carboxamide?
The canonical SMILES for (1S,10R)-5-methyl-7-oxo-N-[2-(trifluoromethyl)phenyl]-4,6,13-triazatricyclo[8.2.1.03,8]trideca-3(8),4-diene-13-carboxamide is Cc1nc2c(c(=O)[nH]1)C[C@H]1CC[C@@H](C2)N1C(=O)Nc1ccccc1C(F)(F)F.
What is the InChIKey of (1S,10R)-5-methyl-7-oxo-N-[2-(trifluoromethyl)phenyl]-4,6,13-triazatricyclo[8.2.1.03,8]trideca-3(8),4-diene-13-carboxamide?
The InChIKey is PFDCBVKXXMRWTI-NEPJUHHUSA-N. The full InChI is InChI=1S/C19H19F3N4O2/c1-10-23-16-9-12-7-6-11(8-13(16)17(27)24-10)26(12)18(28)25-15-5-3-2-4-14(15)19(20,21)22/h2-5,11-12H,6-9H2,1H3,(H,25,28)(H,23,24,27)/t11-,12+/m1/s1.
What are the key properties of (1S,10R)-5-methyl-7-oxo-N-[2-(trifluoromethyl)phenyl]-4,6,13-triazatricyclo[8.2.1.03,8]trideca-3(8),4-diene-13-carboxamide?
(1S,10R)-5-methyl-7-oxo-N-[2-(trifluoromethyl)phenyl]-4,6,13-triazatricyclo[8.2.1.03,8]trideca-3(8),4-diene-13-carboxamide has a molecular weight of 392.38 g/mol, XLogP of 3.26, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,10R)-5-methyl-7-oxo-N-[2-(trifluoromethyl)phenyl]-4,6,13-triazatricyclo[8.2.1.03,8]trideca-3(8),4-diene-13-carboxamide is sourced from PubChem (CID 137256776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).