N-[4-(1,3-oxazol-5-yl)-2-pyridinyl]-5-[3-(trifluoromethyl)phenyl]-1,6,8-triazatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene-8-carboxamide

C25H19F3N6O2 — CID 123176217

IUPACN-[4-(1,3-oxazol-5-yl)-2-pyridinyl]-5-[3-(trifluoromethyl)phenyl]-1,6,8-triazatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene-8-carboxamide
SMILESO=C(Nc1cc(-c2cnco2)ccn1)N1c2nc(-c3cccc(C(F)(F)F)c3)ccc2N2CCC1C2
InChIInChI=1S/C25H19F3N6O2/c26-25(27,28)17-3-1-2-15(10-17)19-4-5-20-23(31-19)34(18-7-9-33(20)13-18)24(35)32-22-11-16(6-8-30-22)21-12-29-14-36-21/h1-6,8,10-12,14,18H,7,9,13H2,(H,30,32,35)
InChIKeyPCDSWOPWFHCQIK-UHFFFAOYSA-N
MW492.46 g/mol
LogP5.45
Rot. Bonds3

About N-[4-(1,3-oxazol-5-yl)-2-pyridinyl]-5-[3-(trifluoromethyl)phenyl]-1,6,8-triazatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene-8-carboxamide

N-[4-(1,3-oxazol-5-yl)-2-pyridinyl]-5-[3-(trifluoromethyl)phenyl]-1,6,8-triazatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene-8-carboxamide (PubChem CID 123176217) has the molecular formula C25H19F3N6O2 and a molecular weight of 492.46 g/mol. Its IUPAC name is N-[4-(1,3-oxazol-5-yl)-2-pyridinyl]-5-[3-(trifluoromethyl)phenyl]-1,6,8-triazatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene-8-carboxamide.

Molecular Properties

Compound NameN-[4-(1,3-oxazol-5-yl)-2-pyridinyl]-5-[3-(trifluoromethyl)phenyl]-1,6,8-triazatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene-8-carboxamide
PubChem CID123176217
Molecular FormulaC25H19F3N6O2
Molecular Weight492.46 g/mol
Exact Mass492.15
IUPAC NameN-[4-(1,3-oxazol-5-yl)-2-pyridinyl]-5-[3-(trifluoromethyl)phenyl]-1,6,8-triazatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene-8-carboxamide
SMILESO=C(Nc1cc(-c2cnco2)ccn1)N1c2nc(-c3cccc(C(F)(F)F)c3)ccc2N2CCC1C2
InChIInChI=1S/C25H19F3N6O2/c26-25(27,28)17-3-1-2-15(10-17)19-4-5-20-23(31-19)34(18-7-9-33(20)13-18)24(35)32-22-11-16(6-8-30-22)21-12-29-14-36-21/h1-6,8,10-12,14,18H,7,9,13H2,(H,30,32,35)
InChIKeyPCDSWOPWFHCQIK-UHFFFAOYSA-N
XLogP5.45
TPSA87.39 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500492.46
LogP ≤ 55.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[4-(1,3-oxazol-5-yl)-2-pyridinyl]-5-[3-(trifluoromethyl)phenyl]-1,6,8-triazatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene-8-carboxamide with MolForge

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Related Compounds

1-(2,2-difluoropropyl)-N-[3-(1,3-oxazol-5-yl)-1,7-naphthyridin-6-yl]piperidine-4-carboxamide
CID 138589066
(4s)-N-[3-(1,3-Oxazol-5-Yl)phenyl]-7-[3-(Trifluoromethyl)phenyl]-3,4-Dihydro-1,4-Methanopyrido[2,3-B][1,4]diazepine-5(2h)-Carboxamide
CID 86293570
1-(1-methylpiperidin-4-yl)-N-[6-(1,3-oxazol-5-yl)isoquinolin-3-yl]piperidine-4-carboxamide
CID 132055540
N-[6-(1,3-oxazol-5-yl)isoquinolin-3-yl]-1-(2-pyrrolidin-1-ylacetyl)piperidine-4-carboxamide
CID 132056176
2-(1-methylpiperidin-4-yl)-N-[6-(1,3-oxazol-5-yl)isoquinolin-3-yl]pyridine-4-carboxamide
CID 132056714
(3S)-1,3-dimethyl-N-[3-(1,3-oxazol-5-yl)phenyl]-6-[3-(trifluoromethyl)phenyl]-2,3-dihydropyrido[2,3-b]pyrazine-4-carboxamide
CID 137348285
US20250084084, Example 173
CID 166585480
(S)-N2-[1-(4-fluorophenyl)ethyl]-6-(oxazol-5-yl)-N4-(pyrazin-2-yl)pyrimidine-2,4-diamine
CID 56599390
6-N-[(1S)-1-(4-fluorophenyl)ethyl]-4-(1,3-oxazol-5-yl)-2-N-pyrazin-2-ylpyridine-2,6-diamine
CID 56602198
1-[3-(7-Oxazol-5-yl-imidazo[1,2-a]pyridin-3-yl)-phenyl]-3-(2,2,2-trifluoro-ethyl)-urea
CID 59320871
6-[2-(4-methylpiperazin-1-yl)-1,3-oxazol-5-yl]-N-[3-(trifluoromethyl)phenyl]pyridin-2-amine
CID 67324572
2-N-[(4-fluorophenyl)methyl]-6-(1,3-oxazol-5-yl)-4-N-pyrazin-2-ylpyrimidine-2,4-diamine
CID 68031811

Frequently Asked Questions

What is the IUPAC name of N-[4-(1,3-oxazol-5-yl)-2-pyridinyl]-5-[3-(trifluoromethyl)phenyl]-1,6,8-triazatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene-8-carboxamide?
The IUPAC name of N-[4-(1,3-oxazol-5-yl)-2-pyridinyl]-5-[3-(trifluoromethyl)phenyl]-1,6,8-triazatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene-8-carboxamide (CID 123176217) is N-[4-(1,3-oxazol-5-yl)-2-pyridinyl]-5-[3-(trifluoromethyl)phenyl]-1,6,8-triazatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene-8-carboxamide.
What is the SMILES notation for N-[4-(1,3-oxazol-5-yl)-2-pyridinyl]-5-[3-(trifluoromethyl)phenyl]-1,6,8-triazatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene-8-carboxamide?
The canonical SMILES for N-[4-(1,3-oxazol-5-yl)-2-pyridinyl]-5-[3-(trifluoromethyl)phenyl]-1,6,8-triazatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene-8-carboxamide is O=C(Nc1cc(-c2cnco2)ccn1)N1c2nc(-c3cccc(C(F)(F)F)c3)ccc2N2CCC1C2.
What is the InChIKey of N-[4-(1,3-oxazol-5-yl)-2-pyridinyl]-5-[3-(trifluoromethyl)phenyl]-1,6,8-triazatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene-8-carboxamide?
The InChIKey is PCDSWOPWFHCQIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19F3N6O2/c26-25(27,28)17-3-1-2-15(10-17)19-4-5-20-23(31-19)34(18-7-9-33(20)13-18)24(35)32-22-11-16(6-8-30-22)21-12-29-14-36-21/h1-6,8,10-12,14,18H,7,9,13H2,(H,30,32,35).
What are the key properties of N-[4-(1,3-oxazol-5-yl)-2-pyridinyl]-5-[3-(trifluoromethyl)phenyl]-1,6,8-triazatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene-8-carboxamide?
N-[4-(1,3-oxazol-5-yl)-2-pyridinyl]-5-[3-(trifluoromethyl)phenyl]-1,6,8-triazatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene-8-carboxamide has a molecular weight of 492.46 g/mol, XLogP of 5.45, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(1,3-oxazol-5-yl)-2-pyridinyl]-5-[3-(trifluoromethyl)phenyl]-1,6,8-triazatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene-8-carboxamide is sourced from PubChem (CID 123176217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).