7-(3,5-difluorophenyl)-N-[5-methoxy-6-[4-(trifluoromethyl)imidazol-1-yl]-3-pyridinyl]-8-methyl-6,7-dihydropyrimido[5,4-b][1,4]oxazin-2-amine

C23H18F5N7O2 — CID 118246102

IUPAC7-(3,5-difluorophenyl)-N-[5-methoxy-6-[4-(trifluoromethyl)imidazol-1-yl]-3-pyridinyl]-8-methyl-6,7-dihydropyrimido[5,4-b][1,4]oxazin-2-amine
SMILESCOc1cc(Nc2ncc3c(n2)N(C)C(c2cc(F)cc(F)c2)CO3)cnc1-n1cnc(C(F)(F)F)c1
InChIInChI=1S/C23H18F5N7O2/c1-34-16(12-3-13(24)5-14(25)4-12)10-37-18-8-30-22(33-21(18)34)32-15-6-17(36-2)20(29-7-15)35-9-19(31-11-35)23(26,27)28/h3-9,11,16H,10H2,1-2H3,(H,30,32,33)
InChIKeyJEGCSAIBHXRSHQ-UHFFFAOYSA-N
MW519.43 g/mol
LogP4.68
Rot. Bonds5

About 7-(3,5-difluorophenyl)-N-[5-methoxy-6-[4-(trifluoromethyl)imidazol-1-yl]-3-pyridinyl]-8-methyl-6,7-dihydropyrimido[5,4-b][1,4]oxazin-2-amine

7-(3,5-difluorophenyl)-N-[5-methoxy-6-[4-(trifluoromethyl)imidazol-1-yl]-3-pyridinyl]-8-methyl-6,7-dihydropyrimido[5,4-b][1,4]oxazin-2-amine (PubChem CID 118246102) has the molecular formula C23H18F5N7O2 and a molecular weight of 519.43 g/mol. Its IUPAC name is 7-(3,5-difluorophenyl)-N-[5-methoxy-6-[4-(trifluoromethyl)imidazol-1-yl]-3-pyridinyl]-8-methyl-6,7-dihydropyrimido[5,4-b][1,4]oxazin-2-amine.

Molecular Properties

Compound Name7-(3,5-difluorophenyl)-N-[5-methoxy-6-[4-(trifluoromethyl)imidazol-1-yl]-3-pyridinyl]-8-methyl-6,7-dihydropyrimido[5,4-b][1,4]oxazin-2-amine
PubChem CID118246102
Molecular FormulaC23H18F5N7O2
Molecular Weight519.43 g/mol
Exact Mass519.14
IUPAC Name7-(3,5-difluorophenyl)-N-[5-methoxy-6-[4-(trifluoromethyl)imidazol-1-yl]-3-pyridinyl]-8-methyl-6,7-dihydropyrimido[5,4-b][1,4]oxazin-2-amine
SMILESCOc1cc(Nc2ncc3c(n2)N(C)C(c2cc(F)cc(F)c2)CO3)cnc1-n1cnc(C(F)(F)F)c1
InChIInChI=1S/C23H18F5N7O2/c1-34-16(12-3-13(24)5-14(25)4-12)10-37-18-8-30-22(33-21(18)34)32-15-6-17(36-2)20(29-7-15)35-9-19(31-11-35)23(26,27)28/h3-9,11,16H,10H2,1-2H3,(H,30,32,33)
InChIKeyJEGCSAIBHXRSHQ-UHFFFAOYSA-N
XLogP4.68
TPSA90.22 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500519.43
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 7-(3,5-difluorophenyl)-N-[5-methoxy-6-[4-(trifluoromethyl)imidazol-1-yl]-3-pyridinyl]-8-methyl-6,7-dihydropyrimido[5,4-b][1,4]oxazin-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 7-(3,5-difluorophenyl)-N-[5-methoxy-6-[4-(trifluoromethyl)imidazol-1-yl]-3-pyridinyl]-8-methyl-6,7-dihydropyrimido[5,4-b][1,4]oxazin-2-amine?
The IUPAC name of 7-(3,5-difluorophenyl)-N-[5-methoxy-6-[4-(trifluoromethyl)imidazol-1-yl]-3-pyridinyl]-8-methyl-6,7-dihydropyrimido[5,4-b][1,4]oxazin-2-amine (CID 118246102) is 7-(3,5-difluorophenyl)-N-[5-methoxy-6-[4-(trifluoromethyl)imidazol-1-yl]-3-pyridinyl]-8-methyl-6,7-dihydropyrimido[5,4-b][1,4]oxazin-2-amine.
What is the SMILES notation for 7-(3,5-difluorophenyl)-N-[5-methoxy-6-[4-(trifluoromethyl)imidazol-1-yl]-3-pyridinyl]-8-methyl-6,7-dihydropyrimido[5,4-b][1,4]oxazin-2-amine?
The canonical SMILES for 7-(3,5-difluorophenyl)-N-[5-methoxy-6-[4-(trifluoromethyl)imidazol-1-yl]-3-pyridinyl]-8-methyl-6,7-dihydropyrimido[5,4-b][1,4]oxazin-2-amine is COc1cc(Nc2ncc3c(n2)N(C)C(c2cc(F)cc(F)c2)CO3)cnc1-n1cnc(C(F)(F)F)c1.
What is the InChIKey of 7-(3,5-difluorophenyl)-N-[5-methoxy-6-[4-(trifluoromethyl)imidazol-1-yl]-3-pyridinyl]-8-methyl-6,7-dihydropyrimido[5,4-b][1,4]oxazin-2-amine?
The InChIKey is JEGCSAIBHXRSHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18F5N7O2/c1-34-16(12-3-13(24)5-14(25)4-12)10-37-18-8-30-22(33-21(18)34)32-15-6-17(36-2)20(29-7-15)35-9-19(31-11-35)23(26,27)28/h3-9,11,16H,10H2,1-2H3,(H,30,32,33).
What are the key properties of 7-(3,5-difluorophenyl)-N-[5-methoxy-6-[4-(trifluoromethyl)imidazol-1-yl]-3-pyridinyl]-8-methyl-6,7-dihydropyrimido[5,4-b][1,4]oxazin-2-amine?
7-(3,5-difluorophenyl)-N-[5-methoxy-6-[4-(trifluoromethyl)imidazol-1-yl]-3-pyridinyl]-8-methyl-6,7-dihydropyrimido[5,4-b][1,4]oxazin-2-amine has a molecular weight of 519.43 g/mol, XLogP of 4.68, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(3,5-difluorophenyl)-N-[5-methoxy-6-[4-(trifluoromethyl)imidazol-1-yl]-3-pyridinyl]-8-methyl-6,7-dihydropyrimido[5,4-b][1,4]oxazin-2-amine is sourced from PubChem (CID 118246102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).