N-[6-methoxy-5-(2-methyl-4-pyridinyl)-2-pyridinyl]-4-methyl-2-(2,2,2-trifluoroethyl)-3,5-dihydro-2H-pyrido[3,2-f][1,4]oxazepin-8-amine

C23H24F3N5O2 — CID 68752134

IUPACN-[6-methoxy-5-(2-methyl-4-pyridinyl)-2-pyridinyl]-4-methyl-2-(2,2,2-trifluoroethyl)-3,5-dihydro-2H-pyrido[3,2-f][1,4]oxazepin-8-amine
SMILESCOc1nc(Nc2ccc3c(n2)OC(CC(F)(F)F)CN(C)C3)ccc1-c1ccnc(C)c1
InChIInChI=1S/C23H24F3N5O2/c1-14-10-15(8-9-27-14)18-5-7-20(30-22(18)32-3)28-19-6-4-16-12-31(2)13-17(11-23(24,25)26)33-21(16)29-19/h4-10,17H,11-13H2,1-3H3,(H,28,29,30)
InChIKeyUFSPOCZSPDIHGD-UHFFFAOYSA-N
MW459.47 g/mol
LogP4.74
Rot. Bonds5

About N-[6-methoxy-5-(2-methyl-4-pyridinyl)-2-pyridinyl]-4-methyl-2-(2,2,2-trifluoroethyl)-3,5-dihydro-2H-pyrido[3,2-f][1,4]oxazepin-8-amine

N-[6-methoxy-5-(2-methyl-4-pyridinyl)-2-pyridinyl]-4-methyl-2-(2,2,2-trifluoroethyl)-3,5-dihydro-2H-pyrido[3,2-f][1,4]oxazepin-8-amine (PubChem CID 68752134) has the molecular formula C23H24F3N5O2 and a molecular weight of 459.47 g/mol. Its IUPAC name is N-[6-methoxy-5-(2-methyl-4-pyridinyl)-2-pyridinyl]-4-methyl-2-(2,2,2-trifluoroethyl)-3,5-dihydro-2H-pyrido[3,2-f][1,4]oxazepin-8-amine.

Molecular Properties

Compound NameN-[6-methoxy-5-(2-methyl-4-pyridinyl)-2-pyridinyl]-4-methyl-2-(2,2,2-trifluoroethyl)-3,5-dihydro-2H-pyrido[3,2-f][1,4]oxazepin-8-amine
PubChem CID68752134
Molecular FormulaC23H24F3N5O2
Molecular Weight459.47 g/mol
Exact Mass459.19
IUPAC NameN-[6-methoxy-5-(2-methyl-4-pyridinyl)-2-pyridinyl]-4-methyl-2-(2,2,2-trifluoroethyl)-3,5-dihydro-2H-pyrido[3,2-f][1,4]oxazepin-8-amine
SMILESCOc1nc(Nc2ccc3c(n2)OC(CC(F)(F)F)CN(C)C3)ccc1-c1ccnc(C)c1
InChIInChI=1S/C23H24F3N5O2/c1-14-10-15(8-9-27-14)18-5-7-20(30-22(18)32-3)28-19-6-4-16-12-31(2)13-17(11-23(24,25)26)33-21(16)29-19/h4-10,17H,11-13H2,1-3H3,(H,28,29,30)
InChIKeyUFSPOCZSPDIHGD-UHFFFAOYSA-N
XLogP4.74
TPSA72.40 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.47
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[6-methoxy-5-(2-methyl-4-pyridinyl)-2-pyridinyl]-4-methyl-2-(2,2,2-trifluoroethyl)-3,5-dihydro-2H-pyrido[3,2-f][1,4]oxazepin-8-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[6-methoxy-5-(2-methyl-4-pyridinyl)-2-pyridinyl]-4-methyl-2-(2,2,2-trifluoroethyl)-3,5-dihydro-2H-pyrido[3,2-f][1,4]oxazepin-8-amine?
The IUPAC name of N-[6-methoxy-5-(2-methyl-4-pyridinyl)-2-pyridinyl]-4-methyl-2-(2,2,2-trifluoroethyl)-3,5-dihydro-2H-pyrido[3,2-f][1,4]oxazepin-8-amine (CID 68752134) is N-[6-methoxy-5-(2-methyl-4-pyridinyl)-2-pyridinyl]-4-methyl-2-(2,2,2-trifluoroethyl)-3,5-dihydro-2H-pyrido[3,2-f][1,4]oxazepin-8-amine.
What is the SMILES notation for N-[6-methoxy-5-(2-methyl-4-pyridinyl)-2-pyridinyl]-4-methyl-2-(2,2,2-trifluoroethyl)-3,5-dihydro-2H-pyrido[3,2-f][1,4]oxazepin-8-amine?
The canonical SMILES for N-[6-methoxy-5-(2-methyl-4-pyridinyl)-2-pyridinyl]-4-methyl-2-(2,2,2-trifluoroethyl)-3,5-dihydro-2H-pyrido[3,2-f][1,4]oxazepin-8-amine is COc1nc(Nc2ccc3c(n2)OC(CC(F)(F)F)CN(C)C3)ccc1-c1ccnc(C)c1.
What is the InChIKey of N-[6-methoxy-5-(2-methyl-4-pyridinyl)-2-pyridinyl]-4-methyl-2-(2,2,2-trifluoroethyl)-3,5-dihydro-2H-pyrido[3,2-f][1,4]oxazepin-8-amine?
The InChIKey is UFSPOCZSPDIHGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24F3N5O2/c1-14-10-15(8-9-27-14)18-5-7-20(30-22(18)32-3)28-19-6-4-16-12-31(2)13-17(11-23(24,25)26)33-21(16)29-19/h4-10,17H,11-13H2,1-3H3,(H,28,29,30).
What are the key properties of N-[6-methoxy-5-(2-methyl-4-pyridinyl)-2-pyridinyl]-4-methyl-2-(2,2,2-trifluoroethyl)-3,5-dihydro-2H-pyrido[3,2-f][1,4]oxazepin-8-amine?
N-[6-methoxy-5-(2-methyl-4-pyridinyl)-2-pyridinyl]-4-methyl-2-(2,2,2-trifluoroethyl)-3,5-dihydro-2H-pyrido[3,2-f][1,4]oxazepin-8-amine has a molecular weight of 459.47 g/mol, XLogP of 4.74, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-methoxy-5-(2-methyl-4-pyridinyl)-2-pyridinyl]-4-methyl-2-(2,2,2-trifluoroethyl)-3,5-dihydro-2H-pyrido[3,2-f][1,4]oxazepin-8-amine is sourced from PubChem (CID 68752134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).