N-[(2S)-1-[[4-[4-(5-amino-6-methoxypyrazin-2-yl)-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-5-yl]pyrimidin-2-yl]amino]propan-2-yl]-2-methoxyacetamide;4-[4-(6-amino-5-methoxy-3-pyridinyl)-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-5-yl]-N-(2-methylpropyl)pyrimidin-2-amine;methane;3-methoxy-5-[5-[2-(2-methylpropylamino)-4-pyridinyl]-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]pyridin-2-amine

C75H76F9N19O8 — CID 157361997

IUPACN-[(2S)-1-[[4-[4-(5-amino-6-methoxypyrazin-2-yl)-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-5-yl]pyrimidin-2-yl]amino]propan-2-yl]-2-methoxyacetamide;4-[4-(6-amino-5-methoxy-3-pyridinyl)-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-5-yl]-N-(2-methylpropyl)pyrimidin-2-amine;methane;3-methoxy-5-[5-[2-(2-methylpropylamino)-4-pyridinyl]-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]pyridin-2-amine
SMILESC.COCC(=O)N[C@@H](C)CNc1nccc(-c2oc(-c3ccc(C(F)(F)F)cc3)nc2-c2cnc(N)c(OC)n2)n1.COc1cc(-c2nc(-c3ccc(C(F)(F)F)cc3)oc2-c2ccnc(NCC(C)C)c2)cnc1N.COc1cc(-c2nc(-c3ccc(C(F)(F)F)cc3)oc2-c2ccnc(NCC(C)C)n2)cnc1N
InChIInChI=1S/C25H25F3N8O4.C25H24F3N5O2.C24H23F3N6O2.CH4/c1-13(33-18(37)12-38-2)10-32-24-30-9-8-16(35-24)20-19(17-11-31-21(29)23(34-17)39-3)36-22(40-20)14-4-6-15(7-5-14)25(26,27)28;1-14(2)12-31-20-11-16(8-9-30-20)22-21(17-10-19(34-3)23(29)32-13-17)33-24(35-22)15-4-6-18(7-5-15)25(26,27)28;1-13(2)11-31-23-29-9-8-17(32-23)20-19(15-10-18(34-3)21(28)30-12-15)33-22(35-20)14-4-6-16(7-5-14)24(25,26)27;/h4-9,11,13H,10,12H2,1-3H3,(H2,29,31)(H,33,37)(H,30,32,35);4-11,13-14H,12H2,1-3H3,(H2,29,32)(H,30,31);4-10,12-13H,11H2,1-3H3,(H2,28,30)(H,29,31,32);1H4/t13-;;;/m0.../s1
InChIKeyBITAVZFCYDVBDQ-JEZXJMRTSA-N
MW1542.54 g/mol
LogP15.75
Rot. Bonds24

About N-[(2S)-1-[[4-[4-(5-amino-6-methoxypyrazin-2-yl)-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-5-yl]pyrimidin-2-yl]amino]propan-2-yl]-2-methoxyacetamide;4-[4-(6-amino-5-methoxy-3-pyridinyl)-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-5-yl]-N-(2-methylpropyl)pyrimidin-2-amine;methane;3-methoxy-5-[5-[2-(2-methylpropylamino)-4-pyridinyl]-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]pyridin-2-amine

N-[(2S)-1-[[4-[4-(5-amino-6-methoxypyrazin-2-yl)-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-5-yl]pyrimidin-2-yl]amino]propan-2-yl]-2-methoxyacetamide;4-[4-(6-amino-5-methoxy-3-pyridinyl)-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-5-yl]-N-(2-methylpropyl)pyrimidin-2-amine;methane;3-methoxy-5-[5-[2-(2-methylpropylamino)-4-pyridinyl]-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]pyridin-2-amine (PubChem CID 157361997) has the molecular formula C75H76F9N19O8 and a molecular weight of 1542.54 g/mol. Its IUPAC name is N-[(2S)-1-[[4-[4-(5-amino-6-methoxypyrazin-2-yl)-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-5-yl]pyrimidin-2-yl]amino]propan-2-yl]-2-methoxyacetamide;4-[4-(6-amino-5-methoxy-3-pyridinyl)-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-5-yl]-N-(2-methylpropyl)pyrimidin-2-amine;methane;3-methoxy-5-[5-[2-(2-methylpropylamino)-4-pyridinyl]-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]pyridin-2-amine.

Molecular Properties

Compound NameN-[(2S)-1-[[4-[4-(5-amino-6-methoxypyrazin-2-yl)-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-5-yl]pyrimidin-2-yl]amino]propan-2-yl]-2-methoxyacetamide;4-[4-(6-amino-5-methoxy-3-pyridinyl)-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-5-yl]-N-(2-methylpropyl)pyrimidin-2-amine;methane;3-methoxy-5-[5-[2-(2-methylpropylamino)-4-pyridinyl]-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]pyridin-2-amine
PubChem CID157361997
Molecular FormulaC75H76F9N19O8
Molecular Weight1542.54 g/mol
Exact Mass1541.60
IUPAC NameN-[(2S)-1-[[4-[4-(5-amino-6-methoxypyrazin-2-yl)-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-5-yl]pyrimidin-2-yl]amino]propan-2-yl]-2-methoxyacetamide;4-[4-(6-amino-5-methoxy-3-pyridinyl)-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-5-yl]-N-(2-methylpropyl)pyrimidin-2-amine;methane;3-methoxy-5-[5-[2-(2-methylpropylamino)-4-pyridinyl]-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]pyridin-2-amine
SMILESC.COCC(=O)N[C@@H](C)CNc1nccc(-c2oc(-c3ccc(C(F)(F)F)cc3)nc2-c2cnc(N)c(OC)n2)n1.COc1cc(-c2nc(-c3ccc(C(F)(F)F)cc3)oc2-c2ccnc(NCC(C)C)c2)cnc1N.COc1cc(-c2nc(-c3ccc(C(F)(F)F)cc3)oc2-c2ccnc(NCC(C)C)n2)cnc1N
InChIInChI=1S/C25H25F3N8O4.C25H24F3N5O2.C24H23F3N6O2.CH4/c1-13(33-18(37)12-38-2)10-32-24-30-9-8-16(35-24)20-19(17-11-31-21(29)23(34-17)39-3)36-22(40-20)14-4-6-15(7-5-14)25(26,27)28;1-14(2)12-31-20-11-16(8-9-30-20)22-21(17-10-19(34-3)23(29)32-13-17)33-24(35-22)15-4-6-18(7-5-15)25(26,27)28;1-13(2)11-31-23-29-9-8-17(32-23)20-19(15-10-18(34-3)21(28)30-12-15)33-22(35-20)14-4-6-16(7-5-14)24(25,26)27;/h4-9,11,13H,10,12H2,1-3H3,(H2,29,31)(H,33,37)(H,30,32,35);4-11,13-14H,12H2,1-3H3,(H2,29,32)(H,30,31);4-10,12-13H,11H2,1-3H3,(H2,28,30)(H,29,31,32);1H4/t13-;;;/m0.../s1
InChIKeyBITAVZFCYDVBDQ-JEZXJMRTSA-N
XLogP15.75
TPSA374.27 Ų
H-Bond Donors7
H-Bond Acceptors26
Rotatable Bonds24
Heavy Atoms111
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001542.54
LogP ≤ 515.75
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1026

Analyze N-[(2S)-1-[[4-[4-(5-amino-6-methoxypyrazin-2-yl)-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-5-yl]pyrimidin-2-yl]amino]propan-2-yl]-2-methoxyacetamide;4-[4-(6-amino-5-methoxy-3-pyridinyl)-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-5-yl]-N-(2-methylpropyl)pyrimidin-2-amine;methane;3-methoxy-5-[5-[2-(2-methylpropylamino)-4-pyridinyl]-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]pyridin-2-amine with MolForge

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Related Compounds

N-[1-[[4-[4-(6-amino-5-methoxy-3-pyridinyl)-2-(4-fluorophenyl)-1,3-oxazol-5-yl]pyrimidin-2-yl]amino]propan-2-yl]-2-methoxyacetamide
CID 44231073
N-[1-[[4-[4-(5-amino-6-methoxypyrazin-2-yl)-2-(4-fluorophenyl)-1,3-oxazol-5-yl]pyrimidin-2-yl]amino]propan-2-yl]-2-methoxyacetamide
CID 44231194
N-[(2S)-1-[[4-[4-(6-amino-5-methoxy-3-pyridinyl)-2-(4-fluorophenyl)-1,3-oxazol-5-yl]pyrimidin-2-yl]amino]propan-2-yl]-2-methoxyacetamide
CID 59137290
N-[(2S)-1-[[4-[4-(5-amino-6-methoxypyrazin-2-yl)-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-5-yl]pyrimidin-2-yl]amino]propan-2-yl]-2-methoxyacetamide
CID 59137312
3-Methoxy-5-[5-[2-(2-methylpropylamino)pyrimidin-4-yl]-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]pyrazin-2-amine
CID 59137341
N-[(2S)-1-[[4-[4-(5-amino-6-methoxypyrazin-2-yl)-2-(4-fluorophenyl)-1,3-oxazol-5-yl]pyrimidin-2-yl]amino]propan-2-yl]-2-methoxyacetamide
CID 59137446
4-[4-(6-amino-5-methoxypyridin-3-yl)-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-5-yl]-N-(2-methylpropyl)pyrimidin-2-amine
CID 59137540
N-[(2S)-1-[[4-[4-(6-amino-5-methoxypyridin-3-yl)-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-5-yl]pyrimidin-2-yl]amino]propan-2-yl]-2-methoxyacetamide
CID 59137558
N'-[(2S)-1-[[4-[4-(6-amino-5-methoxypyridin-3-yl)-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-5-yl]pyrimidin-2-yl]amino]propan-2-yl]-2-methoxyethanimidamide
CID 66590725
N-[1-[[4-[4-(5-amino-6-methoxypyrazin-2-yl)-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-5-yl]pyrimidin-2-yl]amino]propan-2-yl]-2-methoxyacetamide
CID 66590946
N-[1-[[4-[4-(6-amino-5-methoxypyridin-3-yl)-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-5-yl]pyrimidin-2-yl]amino]propan-2-yl]-2-methoxyacetamide
CID 66591574
N-[1-[[4-[4-(6-amino-5-methoxy-3-pyridinyl)-2-(4-fluorophenyl)-1,3-oxazol-5-yl]pyrimidin-2-yl]amino]-1-iodopropan-2-yl]-2-methoxyacetamide
CID 66880052

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-[[4-[4-(5-amino-6-methoxypyrazin-2-yl)-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-5-yl]pyrimidin-2-yl]amino]propan-2-yl]-2-methoxyacetamide;4-[4-(6-amino-5-methoxy-3-pyridinyl)-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-5-yl]-N-(2-methylpropyl)pyrimidin-2-amine;methane;3-methoxy-5-[5-[2-(2-methylpropylamino)-4-pyridinyl]-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]pyridin-2-amine?
The IUPAC name of N-[(2S)-1-[[4-[4-(5-amino-6-methoxypyrazin-2-yl)-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-5-yl]pyrimidin-2-yl]amino]propan-2-yl]-2-methoxyacetamide;4-[4-(6-amino-5-methoxy-3-pyridinyl)-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-5-yl]-N-(2-methylpropyl)pyrimidin-2-amine;methane;3-methoxy-5-[5-[2-(2-methylpropylamino)-4-pyridinyl]-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]pyridin-2-amine (CID 157361997) is N-[(2S)-1-[[4-[4-(5-amino-6-methoxypyrazin-2-yl)-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-5-yl]pyrimidin-2-yl]amino]propan-2-yl]-2-methoxyacetamide;4-[4-(6-amino-5-methoxy-3-pyridinyl)-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-5-yl]-N-(2-methylpropyl)pyrimidin-2-amine;methane;3-methoxy-5-[5-[2-(2-methylpropylamino)-4-pyridinyl]-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]pyridin-2-amine.
What is the SMILES notation for N-[(2S)-1-[[4-[4-(5-amino-6-methoxypyrazin-2-yl)-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-5-yl]pyrimidin-2-yl]amino]propan-2-yl]-2-methoxyacetamide;4-[4-(6-amino-5-methoxy-3-pyridinyl)-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-5-yl]-N-(2-methylpropyl)pyrimidin-2-amine;methane;3-methoxy-5-[5-[2-(2-methylpropylamino)-4-pyridinyl]-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]pyridin-2-amine?
The canonical SMILES for N-[(2S)-1-[[4-[4-(5-amino-6-methoxypyrazin-2-yl)-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-5-yl]pyrimidin-2-yl]amino]propan-2-yl]-2-methoxyacetamide;4-[4-(6-amino-5-methoxy-3-pyridinyl)-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-5-yl]-N-(2-methylpropyl)pyrimidin-2-amine;methane;3-methoxy-5-[5-[2-(2-methylpropylamino)-4-pyridinyl]-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]pyridin-2-amine is C.COCC(=O)N[C@@H](C)CNc1nccc(-c2oc(-c3ccc(C(F)(F)F)cc3)nc2-c2cnc(N)c(OC)n2)n1.COc1cc(-c2nc(-c3ccc(C(F)(F)F)cc3)oc2-c2ccnc(NCC(C)C)c2)cnc1N.COc1cc(-c2nc(-c3ccc(C(F)(F)F)cc3)oc2-c2ccnc(NCC(C)C)n2)cnc1N.
What is the InChIKey of N-[(2S)-1-[[4-[4-(5-amino-6-methoxypyrazin-2-yl)-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-5-yl]pyrimidin-2-yl]amino]propan-2-yl]-2-methoxyacetamide;4-[4-(6-amino-5-methoxy-3-pyridinyl)-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-5-yl]-N-(2-methylpropyl)pyrimidin-2-amine;methane;3-methoxy-5-[5-[2-(2-methylpropylamino)-4-pyridinyl]-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]pyridin-2-amine?
The InChIKey is BITAVZFCYDVBDQ-JEZXJMRTSA-N. The full InChI is InChI=1S/C25H25F3N8O4.C25H24F3N5O2.C24H23F3N6O2.CH4/c1-13(33-18(37)12-38-2)10-32-24-30-9-8-16(35-24)20-19(17-11-31-21(29)23(34-17)39-3)36-22(40-20)14-4-6-15(7-5-14)25(26,27)28;1-14(2)12-31-20-11-16(8-9-30-20)22-21(17-10-19(34-3)23(29)32-13-17)33-24(35-22)15-4-6-18(7-5-15)25(26,27)28;1-13(2)11-31-23-29-9-8-17(32-23)20-19(15-10-18(34-3)21(28)30-12-15)33-22(35-20)14-4-6-16(7-5-14)24(25,26)27;/h4-9,11,13H,10,12H2,1-3H3,(H2,29,31)(H,33,37)(H,30,32,35);4-11,13-14H,12H2,1-3H3,(H2,29,32)(H,30,31);4-10,12-13H,11H2,1-3H3,(H2,28,30)(H,29,31,32);1H4/t13-;;;/m0.../s1.
What are the key properties of N-[(2S)-1-[[4-[4-(5-amino-6-methoxypyrazin-2-yl)-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-5-yl]pyrimidin-2-yl]amino]propan-2-yl]-2-methoxyacetamide;4-[4-(6-amino-5-methoxy-3-pyridinyl)-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-5-yl]-N-(2-methylpropyl)pyrimidin-2-amine;methane;3-methoxy-5-[5-[2-(2-methylpropylamino)-4-pyridinyl]-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]pyridin-2-amine?
N-[(2S)-1-[[4-[4-(5-amino-6-methoxypyrazin-2-yl)-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-5-yl]pyrimidin-2-yl]amino]propan-2-yl]-2-methoxyacetamide;4-[4-(6-amino-5-methoxy-3-pyridinyl)-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-5-yl]-N-(2-methylpropyl)pyrimidin-2-amine;methane;3-methoxy-5-[5-[2-(2-methylpropylamino)-4-pyridinyl]-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]pyridin-2-amine has a molecular weight of 1542.54 g/mol, XLogP of 15.75, 24 rotatable bonds, 7 hydrogen bond donors, and 26 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-[[4-[4-(5-amino-6-methoxypyrazin-2-yl)-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-5-yl]pyrimidin-2-yl]amino]propan-2-yl]-2-methoxyacetamide;4-[4-(6-amino-5-methoxy-3-pyridinyl)-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-5-yl]-N-(2-methylpropyl)pyrimidin-2-amine;methane;3-methoxy-5-[5-[2-(2-methylpropylamino)-4-pyridinyl]-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]pyridin-2-amine is sourced from PubChem (CID 157361997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).