N-[6-[4-(trifluoromethyl)phenoxy]-3-pyridinyl]-5,12,14-triazatricyclo[8.4.0.02,6]tetradeca-1(14),2(6),3,10,12-pentaene-3-carboxamide

C24H18F3N5O2 — CID 91347128

IUPACN-[6-[4-(trifluoromethyl)phenoxy]-3-pyridinyl]-5,12,14-triazatricyclo[8.4.0.02,6]tetradeca-1(14),2(6),3,10,12-pentaene-3-carboxamide
SMILESO=C(Nc1ccc(Oc2ccc(C(F)(F)F)cc2)nc1)c1c[nH]c2c1-c1ncncc1CCC2
InChIInChI=1S/C24H18F3N5O2/c25-24(26,27)15-4-7-17(8-5-15)34-20-9-6-16(11-30-20)32-23(33)18-12-29-19-3-1-2-14-10-28-13-31-22(14)21(18)19/h4-13,29H,1-3H2,(H,32,33)
InChIKeyHVWGOZJCVBMXSX-UHFFFAOYSA-N
MW465.44 g/mol
LogP5.42
Rot. Bonds4

About N-[6-[4-(trifluoromethyl)phenoxy]-3-pyridinyl]-5,12,14-triazatricyclo[8.4.0.02,6]tetradeca-1(14),2(6),3,10,12-pentaene-3-carboxamide

N-[6-[4-(trifluoromethyl)phenoxy]-3-pyridinyl]-5,12,14-triazatricyclo[8.4.0.02,6]tetradeca-1(14),2(6),3,10,12-pentaene-3-carboxamide (PubChem CID 91347128) has the molecular formula C24H18F3N5O2 and a molecular weight of 465.44 g/mol. Its IUPAC name is N-[6-[4-(trifluoromethyl)phenoxy]-3-pyridinyl]-5,12,14-triazatricyclo[8.4.0.02,6]tetradeca-1(14),2(6),3,10,12-pentaene-3-carboxamide.

Molecular Properties

Compound NameN-[6-[4-(trifluoromethyl)phenoxy]-3-pyridinyl]-5,12,14-triazatricyclo[8.4.0.02,6]tetradeca-1(14),2(6),3,10,12-pentaene-3-carboxamide
PubChem CID91347128
Molecular FormulaC24H18F3N5O2
Molecular Weight465.44 g/mol
Exact Mass465.14
IUPAC NameN-[6-[4-(trifluoromethyl)phenoxy]-3-pyridinyl]-5,12,14-triazatricyclo[8.4.0.02,6]tetradeca-1(14),2(6),3,10,12-pentaene-3-carboxamide
SMILESO=C(Nc1ccc(Oc2ccc(C(F)(F)F)cc2)nc1)c1c[nH]c2c1-c1ncncc1CCC2
InChIInChI=1S/C24H18F3N5O2/c25-24(26,27)15-4-7-17(8-5-15)34-20-9-6-16(11-30-20)32-23(33)18-12-29-19-3-1-2-14-10-28-13-31-22(14)21(18)19/h4-13,29H,1-3H2,(H,32,33)
InChIKeyHVWGOZJCVBMXSX-UHFFFAOYSA-N
XLogP5.42
TPSA92.79 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500465.44
LogP ≤ 55.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[6-[4-(trifluoromethyl)phenoxy]-3-pyridinyl]-5,12,14-triazatricyclo[8.4.0.02,6]tetradeca-1(14),2(6),3,10,12-pentaene-3-carboxamide with MolForge

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Related Compounds

N-(4-pentan-2-yloxyphenyl)-5,12,14-triazatricyclo[8.4.0.02,6]tetradeca-1(14),2(6),3,10,12-pentaene-3-carboxamide
CID 91191686
N-(6-chloro-3-pyridinyl)-5,14-diazatricyclo[8.4.0.02,6]tetradeca-1(10),2(6),3,11,13-pentaene-3-carboxamide
CID 90893310
N-[6-[4-(1-hydroxyethyl)phenoxy]-3-pyridinyl]-4-(trifluoromethyl)benzamide
CID 18673964
1-amino-N-[6-[4-(trifluoromethyl)phenoxy]-3-pyridinyl]cyclopentane-1-carboxamide;dihydrochloride
CID 119878537
3-amino-2-methyl-N-[6-[4-(trifluoromethyl)phenoxy]-3-pyridinyl]butanamide
CID 120503762
2-methyl-3-(methylamino)-N-[6-[4-(trifluoromethyl)phenoxy]-3-pyridinyl]propanamide
CID 119878544
4-hydroxy-N-[6-[4-(trifluoromethyl)phenoxy]-3-pyridinyl]pyrrolidine-2-carboxamide
CID 119878540
N-hydroxy-6-[4-(trifluoromethyl)phenoxy]pyridine-3-carboxamide
CID 135313676
2-(cyclopropylmethylamino)-N-[6-[4-(trifluoromethyl)phenoxy]-3-pyridinyl]acetamide;dihydrochloride
CID 119878541
5-methyl-N-[6-(4-methylphenoxy)-3-pyridinyl]-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide
CID 167963025
2-[[6-(4-tert-butylphenoxy)-3-pyridinyl]carbamoyl]benzoic acid
CID 2814281
3-[4-[[5-[[4-(trifluoromethyl)phenyl]carbamoyl]-2-pyridinyl]oxy]phenyl]but-2-enoate
CID 151676144

Frequently Asked Questions

What is the IUPAC name of N-[6-[4-(trifluoromethyl)phenoxy]-3-pyridinyl]-5,12,14-triazatricyclo[8.4.0.02,6]tetradeca-1(14),2(6),3,10,12-pentaene-3-carboxamide?
The IUPAC name of N-[6-[4-(trifluoromethyl)phenoxy]-3-pyridinyl]-5,12,14-triazatricyclo[8.4.0.02,6]tetradeca-1(14),2(6),3,10,12-pentaene-3-carboxamide (CID 91347128) is N-[6-[4-(trifluoromethyl)phenoxy]-3-pyridinyl]-5,12,14-triazatricyclo[8.4.0.02,6]tetradeca-1(14),2(6),3,10,12-pentaene-3-carboxamide.
What is the SMILES notation for N-[6-[4-(trifluoromethyl)phenoxy]-3-pyridinyl]-5,12,14-triazatricyclo[8.4.0.02,6]tetradeca-1(14),2(6),3,10,12-pentaene-3-carboxamide?
The canonical SMILES for N-[6-[4-(trifluoromethyl)phenoxy]-3-pyridinyl]-5,12,14-triazatricyclo[8.4.0.02,6]tetradeca-1(14),2(6),3,10,12-pentaene-3-carboxamide is O=C(Nc1ccc(Oc2ccc(C(F)(F)F)cc2)nc1)c1c[nH]c2c1-c1ncncc1CCC2.
What is the InChIKey of N-[6-[4-(trifluoromethyl)phenoxy]-3-pyridinyl]-5,12,14-triazatricyclo[8.4.0.02,6]tetradeca-1(14),2(6),3,10,12-pentaene-3-carboxamide?
The InChIKey is HVWGOZJCVBMXSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18F3N5O2/c25-24(26,27)15-4-7-17(8-5-15)34-20-9-6-16(11-30-20)32-23(33)18-12-29-19-3-1-2-14-10-28-13-31-22(14)21(18)19/h4-13,29H,1-3H2,(H,32,33).
What are the key properties of N-[6-[4-(trifluoromethyl)phenoxy]-3-pyridinyl]-5,12,14-triazatricyclo[8.4.0.02,6]tetradeca-1(14),2(6),3,10,12-pentaene-3-carboxamide?
N-[6-[4-(trifluoromethyl)phenoxy]-3-pyridinyl]-5,12,14-triazatricyclo[8.4.0.02,6]tetradeca-1(14),2(6),3,10,12-pentaene-3-carboxamide has a molecular weight of 465.44 g/mol, XLogP of 5.42, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[4-(trifluoromethyl)phenoxy]-3-pyridinyl]-5,12,14-triazatricyclo[8.4.0.02,6]tetradeca-1(14),2(6),3,10,12-pentaene-3-carboxamide is sourced from PubChem (CID 91347128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).