(9R,10R)-10-hydroxy-N-[4-(1,3-oxazol-5-yl)-2-pyridinyl]-5-[5-(trifluoromethyl)-3-pyridinyl]-1,6,8-triazatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene-8-carboxamide

C24H18F3N7O3 — CID 118969473

IUPAC(9R,10R)-10-hydroxy-N-[4-(1,3-oxazol-5-yl)-2-pyridinyl]-5-[5-(trifluoromethyl)-3-pyridinyl]-1,6,8-triazatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene-8-carboxamide
SMILESO=C(Nc1cc(-c2cnco2)ccn1)N1c2nc(-c3cncc(C(F)(F)F)c3)ccc2N2C[C@@H](O)[C@H]1C2
InChIInChI=1S/C24H18F3N7O3/c25-24(26,27)15-5-14(7-28-8-15)16-1-2-17-22(31-16)34(18-10-33(17)11-19(18)35)23(36)32-21-6-13(3-4-30-21)20-9-29-12-37-20/h1-9,12,18-19,35H,10-11H2,(H,30,32,36)/t18-,19-/m1/s1
InChIKeyQPEHTNQMDXMYKY-RTBURBONSA-N
MW509.45 g/mol
LogP3.81
Rot. Bonds3

About (9R,10R)-10-hydroxy-N-[4-(1,3-oxazol-5-yl)-2-pyridinyl]-5-[5-(trifluoromethyl)-3-pyridinyl]-1,6,8-triazatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene-8-carboxamide

(9R,10R)-10-hydroxy-N-[4-(1,3-oxazol-5-yl)-2-pyridinyl]-5-[5-(trifluoromethyl)-3-pyridinyl]-1,6,8-triazatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene-8-carboxamide (PubChem CID 118969473) has the molecular formula C24H18F3N7O3 and a molecular weight of 509.45 g/mol. Its IUPAC name is (9R,10R)-10-hydroxy-N-[4-(1,3-oxazol-5-yl)-2-pyridinyl]-5-[5-(trifluoromethyl)-3-pyridinyl]-1,6,8-triazatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene-8-carboxamide.

Molecular Properties

Compound Name(9R,10R)-10-hydroxy-N-[4-(1,3-oxazol-5-yl)-2-pyridinyl]-5-[5-(trifluoromethyl)-3-pyridinyl]-1,6,8-triazatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene-8-carboxamide
PubChem CID118969473
Molecular FormulaC24H18F3N7O3
Molecular Weight509.45 g/mol
Exact Mass509.14
IUPAC Name(9R,10R)-10-hydroxy-N-[4-(1,3-oxazol-5-yl)-2-pyridinyl]-5-[5-(trifluoromethyl)-3-pyridinyl]-1,6,8-triazatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene-8-carboxamide
SMILESO=C(Nc1cc(-c2cnco2)ccn1)N1c2nc(-c3cncc(C(F)(F)F)c3)ccc2N2C[C@@H](O)[C@H]1C2
InChIInChI=1S/C24H18F3N7O3/c25-24(26,27)15-5-14(7-28-8-15)16-1-2-17-22(31-16)34(18-10-33(17)11-19(18)35)23(36)32-21-6-13(3-4-30-21)20-9-29-12-37-20/h1-9,12,18-19,35H,10-11H2,(H,30,32,36)/t18-,19-/m1/s1
InChIKeyQPEHTNQMDXMYKY-RTBURBONSA-N
XLogP3.81
TPSA120.51 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500509.45
LogP ≤ 53.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze (9R,10R)-10-hydroxy-N-[4-(1,3-oxazol-5-yl)-2-pyridinyl]-5-[5-(trifluoromethyl)-3-pyridinyl]-1,6,8-triazatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene-8-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of (9R,10R)-10-hydroxy-N-[4-(1,3-oxazol-5-yl)-2-pyridinyl]-5-[5-(trifluoromethyl)-3-pyridinyl]-1,6,8-triazatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene-8-carboxamide?
The IUPAC name of (9R,10R)-10-hydroxy-N-[4-(1,3-oxazol-5-yl)-2-pyridinyl]-5-[5-(trifluoromethyl)-3-pyridinyl]-1,6,8-triazatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene-8-carboxamide (CID 118969473) is (9R,10R)-10-hydroxy-N-[4-(1,3-oxazol-5-yl)-2-pyridinyl]-5-[5-(trifluoromethyl)-3-pyridinyl]-1,6,8-triazatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene-8-carboxamide.
What is the SMILES notation for (9R,10R)-10-hydroxy-N-[4-(1,3-oxazol-5-yl)-2-pyridinyl]-5-[5-(trifluoromethyl)-3-pyridinyl]-1,6,8-triazatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene-8-carboxamide?
The canonical SMILES for (9R,10R)-10-hydroxy-N-[4-(1,3-oxazol-5-yl)-2-pyridinyl]-5-[5-(trifluoromethyl)-3-pyridinyl]-1,6,8-triazatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene-8-carboxamide is O=C(Nc1cc(-c2cnco2)ccn1)N1c2nc(-c3cncc(C(F)(F)F)c3)ccc2N2C[C@@H](O)[C@H]1C2.
What is the InChIKey of (9R,10R)-10-hydroxy-N-[4-(1,3-oxazol-5-yl)-2-pyridinyl]-5-[5-(trifluoromethyl)-3-pyridinyl]-1,6,8-triazatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene-8-carboxamide?
The InChIKey is QPEHTNQMDXMYKY-RTBURBONSA-N. The full InChI is InChI=1S/C24H18F3N7O3/c25-24(26,27)15-5-14(7-28-8-15)16-1-2-17-22(31-16)34(18-10-33(17)11-19(18)35)23(36)32-21-6-13(3-4-30-21)20-9-29-12-37-20/h1-9,12,18-19,35H,10-11H2,(H,30,32,36)/t18-,19-/m1/s1.
What are the key properties of (9R,10R)-10-hydroxy-N-[4-(1,3-oxazol-5-yl)-2-pyridinyl]-5-[5-(trifluoromethyl)-3-pyridinyl]-1,6,8-triazatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene-8-carboxamide?
(9R,10R)-10-hydroxy-N-[4-(1,3-oxazol-5-yl)-2-pyridinyl]-5-[5-(trifluoromethyl)-3-pyridinyl]-1,6,8-triazatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene-8-carboxamide has a molecular weight of 509.45 g/mol, XLogP of 3.81, 3 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (9R,10R)-10-hydroxy-N-[4-(1,3-oxazol-5-yl)-2-pyridinyl]-5-[5-(trifluoromethyl)-3-pyridinyl]-1,6,8-triazatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene-8-carboxamide is sourced from PubChem (CID 118969473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).