4-[4-(2-aminopyrimidin-5-yl)phenyl]-N-[4-cyano-3-(trifluoromethyl)phenyl]oxane-4-carboxamide;2-[4-(2-aminopyrimidin-5-yl)phenyl]-2,3-dimethyl-N-pyridin-4-ylbutanamide;4-[4-(2-aminopyrimidin-5-yl)phenyl]-N-[4-(trifluoromethyl)phenyl]oxane-4-carboxamide;N-[5-(5-ethyl-3-pyridinyl)-2-pyridinyl]-4-[4-(1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]oxane-4-carboxamide;N-[5-(6-methoxy-3-pyridinyl)-2-pyridinyl]-4-[4-(1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]oxane-4-carboxamide

C129H120F6N24O10 — CID 157283667

IUPAC4-[4-(2-aminopyrimidin-5-yl)phenyl]-N-[4-cyano-3-(trifluoromethyl)phenyl]oxane-4-carboxamide;2-[4-(2-aminopyrimidin-5-yl)phenyl]-2,3-dimethyl-N-pyridin-4-ylbutanamide;4-[4-(2-aminopyrimidin-5-yl)phenyl]-N-[4-(trifluoromethyl)phenyl]oxane-4-carboxamide;N-[5-(5-ethyl-3-pyridinyl)-2-pyridinyl]-4-[4-(1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]oxane-4-carboxamide;N-[5-(6-methoxy-3-pyridinyl)-2-pyridinyl]-4-[4-(1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]oxane-4-carboxamide
SMILESCC(C)C(C)(C(=O)Nc1ccncc1)c1ccc(-c2cnc(N)nc2)cc1.CCc1cncc(-c2ccc(NC(=O)C3(c4ccc(-c5cnc6[nH]ccc6c5)cc4)CCOCC3)nc2)c1.COc1ccc(-c2ccc(NC(=O)C3(c4ccc(-c5cnc6[nH]ccc6c5)cc4)CCOCC3)nc2)cn1.N#Cc1ccc(NC(=O)C2(c3ccc(-c4cnc(N)nc4)cc3)CCOCC2)cc1C(F)(F)F.Nc1ncc(-c2ccc(C3(C(=O)Nc4ccc(C(F)(F)F)cc4)CCOCC3)cc2)cn1
InChIInChI=1S/C31H29N5O2.C30H27N5O3.C24H20F3N5O2.C23H21F3N4O2.C21H23N5O/c1-2-21-15-25(18-32-17-21)24-5-8-28(34-19-24)36-30(37)31(10-13-38-14-11-31)27-6-3-22(4-7-27)26-16-23-9-12-33-29(23)35-20-26;1-37-27-9-5-23(18-33-27)22-4-8-26(32-17-22)35-29(36)30(11-14-38-15-12-30)25-6-2-20(3-7-25)24-16-21-10-13-31-28(21)34-19-24;25-24(26,27)20-11-19(6-3-16(20)12-28)32-21(33)23(7-9-34-10-8-23)18-4-1-15(2-5-18)17-13-30-22(29)31-14-17;24-23(25,26)18-5-7-19(8-6-18)30-20(31)22(9-11-32-12-10-22)17-3-1-15(2-4-17)16-13-28-21(27)29-14-16;1-14(2)21(3,19(27)26-18-8-10-23-11-9-18)17-6-4-15(5-7-17)16-12-24-20(22)25-13-16/h3-9,12,15-20H,2,10-11,13-14H2,1H3,(H,33,35)(H,34,36,37);2-10,13,16-19H,11-12,14-15H2,1H3,(H,31,34)(H,32,35,36);1-6,11,13-14H,7-10H2,(H,32,33)(H2,29,30,31);1-8,13-14H,9-12H2,(H,30,31)(H2,27,28,29);4-14H,1-3H3,(H2,22,24,25)(H,23,26,27)
InChIKeyAZYWLMQFHAUROW-UHFFFAOYSA-N
MW2280.52 g/mol
LogP23.73
Rot. Bonds25

About 4-[4-(2-aminopyrimidin-5-yl)phenyl]-N-[4-cyano-3-(trifluoromethyl)phenyl]oxane-4-carboxamide;2-[4-(2-aminopyrimidin-5-yl)phenyl]-2,3-dimethyl-N-pyridin-4-ylbutanamide;4-[4-(2-aminopyrimidin-5-yl)phenyl]-N-[4-(trifluoromethyl)phenyl]oxane-4-carboxamide;N-[5-(5-ethyl-3-pyridinyl)-2-pyridinyl]-4-[4-(1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]oxane-4-carboxamide;N-[5-(6-methoxy-3-pyridinyl)-2-pyridinyl]-4-[4-(1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]oxane-4-carboxamide

4-[4-(2-aminopyrimidin-5-yl)phenyl]-N-[4-cyano-3-(trifluoromethyl)phenyl]oxane-4-carboxamide;2-[4-(2-aminopyrimidin-5-yl)phenyl]-2,3-dimethyl-N-pyridin-4-ylbutanamide;4-[4-(2-aminopyrimidin-5-yl)phenyl]-N-[4-(trifluoromethyl)phenyl]oxane-4-carboxamide;N-[5-(5-ethyl-3-pyridinyl)-2-pyridinyl]-4-[4-(1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]oxane-4-carboxamide;N-[5-(6-methoxy-3-pyridinyl)-2-pyridinyl]-4-[4-(1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]oxane-4-carboxamide (PubChem CID 157283667) has the molecular formula C129H120F6N24O10 and a molecular weight of 2280.52 g/mol. Its IUPAC name is 4-[4-(2-aminopyrimidin-5-yl)phenyl]-N-[4-cyano-3-(trifluoromethyl)phenyl]oxane-4-carboxamide;2-[4-(2-aminopyrimidin-5-yl)phenyl]-2,3-dimethyl-N-pyridin-4-ylbutanamide;4-[4-(2-aminopyrimidin-5-yl)phenyl]-N-[4-(trifluoromethyl)phenyl]oxane-4-carboxamide;N-[5-(5-ethyl-3-pyridinyl)-2-pyridinyl]-4-[4-(1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]oxane-4-carboxamide;N-[5-(6-methoxy-3-pyridinyl)-2-pyridinyl]-4-[4-(1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]oxane-4-carboxamide.

Molecular Properties

Compound Name4-[4-(2-aminopyrimidin-5-yl)phenyl]-N-[4-cyano-3-(trifluoromethyl)phenyl]oxane-4-carboxamide;2-[4-(2-aminopyrimidin-5-yl)phenyl]-2,3-dimethyl-N-pyridin-4-ylbutanamide;4-[4-(2-aminopyrimidin-5-yl)phenyl]-N-[4-(trifluoromethyl)phenyl]oxane-4-carboxamide;N-[5-(5-ethyl-3-pyridinyl)-2-pyridinyl]-4-[4-(1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]oxane-4-carboxamide;N-[5-(6-methoxy-3-pyridinyl)-2-pyridinyl]-4-[4-(1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]oxane-4-carboxamide
PubChem CID157283667
Molecular FormulaC129H120F6N24O10
Molecular Weight2280.52 g/mol
Exact Mass2278.95
IUPAC Name4-[4-(2-aminopyrimidin-5-yl)phenyl]-N-[4-cyano-3-(trifluoromethyl)phenyl]oxane-4-carboxamide;2-[4-(2-aminopyrimidin-5-yl)phenyl]-2,3-dimethyl-N-pyridin-4-ylbutanamide;4-[4-(2-aminopyrimidin-5-yl)phenyl]-N-[4-(trifluoromethyl)phenyl]oxane-4-carboxamide;N-[5-(5-ethyl-3-pyridinyl)-2-pyridinyl]-4-[4-(1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]oxane-4-carboxamide;N-[5-(6-methoxy-3-pyridinyl)-2-pyridinyl]-4-[4-(1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]oxane-4-carboxamide
SMILESCC(C)C(C)(C(=O)Nc1ccncc1)c1ccc(-c2cnc(N)nc2)cc1.CCc1cncc(-c2ccc(NC(=O)C3(c4ccc(-c5cnc6[nH]ccc6c5)cc4)CCOCC3)nc2)c1.COc1ccc(-c2ccc(NC(=O)C3(c4ccc(-c5cnc6[nH]ccc6c5)cc4)CCOCC3)nc2)cn1.N#Cc1ccc(NC(=O)C2(c3ccc(-c4cnc(N)nc4)cc3)CCOCC2)cc1C(F)(F)F.Nc1ncc(-c2ccc(C3(C(=O)Nc4ccc(C(F)(F)F)cc4)CCOCC3)cc2)cn1
InChIInChI=1S/C31H29N5O2.C30H27N5O3.C24H20F3N5O2.C23H21F3N4O2.C21H23N5O/c1-2-21-15-25(18-32-17-21)24-5-8-28(34-19-24)36-30(37)31(10-13-38-14-11-31)27-6-3-22(4-7-27)26-16-23-9-12-33-29(23)35-20-26;1-37-27-9-5-23(18-33-27)22-4-8-26(32-17-22)35-29(36)30(11-14-38-15-12-30)25-6-2-20(3-7-25)24-16-21-10-13-31-28(21)34-19-24;25-24(26,27)20-11-19(6-3-16(20)12-28)32-21(33)23(7-9-34-10-8-23)18-4-1-15(2-5-18)17-13-30-22(29)31-14-17;24-23(25,26)18-5-7-19(8-6-18)30-20(31)22(9-11-32-12-10-22)17-3-1-15(2-4-17)16-13-28-21(27)29-14-16;1-14(2)21(3,19(27)26-18-8-10-23-11-9-18)17-6-4-15(5-7-17)16-12-24-20(22)25-13-16/h3-9,12,15-20H,2,10-11,13-14H2,1H3,(H,33,35)(H,34,36,37);2-10,13,16-19H,11-12,14-15H2,1H3,(H,31,34)(H,32,35,36);1-6,11,13-14H,7-10H2,(H,32,33)(H2,29,30,31);1-8,13-14H,9-12H2,(H,30,31)(H2,27,28,29);4-14H,1-3H3,(H2,22,24,25)(H,23,26,27)
InChIKeyAZYWLMQFHAUROW-UHFFFAOYSA-N
XLogP23.73
TPSA492.65 Ų
H-Bond Donors10
H-Bond Acceptors27
Rotatable Bonds25
Heavy Atoms169
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002280.52
LogP ≤ 523.73
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1027

Analyze 4-[4-(2-aminopyrimidin-5-yl)phenyl]-N-[4-cyano-3-(trifluoromethyl)phenyl]oxane-4-carboxamide;2-[4-(2-aminopyrimidin-5-yl)phenyl]-2,3-dimethyl-N-pyridin-4-ylbutanamide;4-[4-(2-aminopyrimidin-5-yl)phenyl]-N-[4-(trifluoromethyl)phenyl]oxane-4-carboxamide;N-[5-(5-ethyl-3-pyridinyl)-2-pyridinyl]-4-[4-(1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]oxane-4-carboxamide;N-[5-(6-methoxy-3-pyridinyl)-2-pyridinyl]-4-[4-(1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]oxane-4-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(2-aminopyrimidin-5-yl)phenyl]-N-[4-cyano-3-(trifluoromethyl)phenyl]oxane-4-carboxamide;2-[4-(2-aminopyrimidin-5-yl)phenyl]-2,3-dimethyl-N-pyridin-4-ylbutanamide;4-[4-(2-aminopyrimidin-5-yl)phenyl]-N-[4-(trifluoromethyl)phenyl]oxane-4-carboxamide;N-[5-(5-ethyl-3-pyridinyl)-2-pyridinyl]-4-[4-(1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]oxane-4-carboxamide;N-[5-(6-methoxy-3-pyridinyl)-2-pyridinyl]-4-[4-(1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]oxane-4-carboxamide?
The IUPAC name of 4-[4-(2-aminopyrimidin-5-yl)phenyl]-N-[4-cyano-3-(trifluoromethyl)phenyl]oxane-4-carboxamide;2-[4-(2-aminopyrimidin-5-yl)phenyl]-2,3-dimethyl-N-pyridin-4-ylbutanamide;4-[4-(2-aminopyrimidin-5-yl)phenyl]-N-[4-(trifluoromethyl)phenyl]oxane-4-carboxamide;N-[5-(5-ethyl-3-pyridinyl)-2-pyridinyl]-4-[4-(1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]oxane-4-carboxamide;N-[5-(6-methoxy-3-pyridinyl)-2-pyridinyl]-4-[4-(1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]oxane-4-carboxamide (CID 157283667) is 4-[4-(2-aminopyrimidin-5-yl)phenyl]-N-[4-cyano-3-(trifluoromethyl)phenyl]oxane-4-carboxamide;2-[4-(2-aminopyrimidin-5-yl)phenyl]-2,3-dimethyl-N-pyridin-4-ylbutanamide;4-[4-(2-aminopyrimidin-5-yl)phenyl]-N-[4-(trifluoromethyl)phenyl]oxane-4-carboxamide;N-[5-(5-ethyl-3-pyridinyl)-2-pyridinyl]-4-[4-(1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]oxane-4-carboxamide;N-[5-(6-methoxy-3-pyridinyl)-2-pyridinyl]-4-[4-(1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]oxane-4-carboxamide.
What is the SMILES notation for 4-[4-(2-aminopyrimidin-5-yl)phenyl]-N-[4-cyano-3-(trifluoromethyl)phenyl]oxane-4-carboxamide;2-[4-(2-aminopyrimidin-5-yl)phenyl]-2,3-dimethyl-N-pyridin-4-ylbutanamide;4-[4-(2-aminopyrimidin-5-yl)phenyl]-N-[4-(trifluoromethyl)phenyl]oxane-4-carboxamide;N-[5-(5-ethyl-3-pyridinyl)-2-pyridinyl]-4-[4-(1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]oxane-4-carboxamide;N-[5-(6-methoxy-3-pyridinyl)-2-pyridinyl]-4-[4-(1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]oxane-4-carboxamide?
The canonical SMILES for 4-[4-(2-aminopyrimidin-5-yl)phenyl]-N-[4-cyano-3-(trifluoromethyl)phenyl]oxane-4-carboxamide;2-[4-(2-aminopyrimidin-5-yl)phenyl]-2,3-dimethyl-N-pyridin-4-ylbutanamide;4-[4-(2-aminopyrimidin-5-yl)phenyl]-N-[4-(trifluoromethyl)phenyl]oxane-4-carboxamide;N-[5-(5-ethyl-3-pyridinyl)-2-pyridinyl]-4-[4-(1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]oxane-4-carboxamide;N-[5-(6-methoxy-3-pyridinyl)-2-pyridinyl]-4-[4-(1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]oxane-4-carboxamide is CC(C)C(C)(C(=O)Nc1ccncc1)c1ccc(-c2cnc(N)nc2)cc1.CCc1cncc(-c2ccc(NC(=O)C3(c4ccc(-c5cnc6[nH]ccc6c5)cc4)CCOCC3)nc2)c1.COc1ccc(-c2ccc(NC(=O)C3(c4ccc(-c5cnc6[nH]ccc6c5)cc4)CCOCC3)nc2)cn1.N#Cc1ccc(NC(=O)C2(c3ccc(-c4cnc(N)nc4)cc3)CCOCC2)cc1C(F)(F)F.Nc1ncc(-c2ccc(C3(C(=O)Nc4ccc(C(F)(F)F)cc4)CCOCC3)cc2)cn1.
What is the InChIKey of 4-[4-(2-aminopyrimidin-5-yl)phenyl]-N-[4-cyano-3-(trifluoromethyl)phenyl]oxane-4-carboxamide;2-[4-(2-aminopyrimidin-5-yl)phenyl]-2,3-dimethyl-N-pyridin-4-ylbutanamide;4-[4-(2-aminopyrimidin-5-yl)phenyl]-N-[4-(trifluoromethyl)phenyl]oxane-4-carboxamide;N-[5-(5-ethyl-3-pyridinyl)-2-pyridinyl]-4-[4-(1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]oxane-4-carboxamide;N-[5-(6-methoxy-3-pyridinyl)-2-pyridinyl]-4-[4-(1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]oxane-4-carboxamide?
The InChIKey is AZYWLMQFHAUROW-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H29N5O2.C30H27N5O3.C24H20F3N5O2.C23H21F3N4O2.C21H23N5O/c1-2-21-15-25(18-32-17-21)24-5-8-28(34-19-24)36-30(37)31(10-13-38-14-11-31)27-6-3-22(4-7-27)26-16-23-9-12-33-29(23)35-20-26;1-37-27-9-5-23(18-33-27)22-4-8-26(32-17-22)35-29(36)30(11-14-38-15-12-30)25-6-2-20(3-7-25)24-16-21-10-13-31-28(21)34-19-24;25-24(26,27)20-11-19(6-3-16(20)12-28)32-21(33)23(7-9-34-10-8-23)18-4-1-15(2-5-18)17-13-30-22(29)31-14-17;24-23(25,26)18-5-7-19(8-6-18)30-20(31)22(9-11-32-12-10-22)17-3-1-15(2-4-17)16-13-28-21(27)29-14-16;1-14(2)21(3,19(27)26-18-8-10-23-11-9-18)17-6-4-15(5-7-17)16-12-24-20(22)25-13-16/h3-9,12,15-20H,2,10-11,13-14H2,1H3,(H,33,35)(H,34,36,37);2-10,13,16-19H,11-12,14-15H2,1H3,(H,31,34)(H,32,35,36);1-6,11,13-14H,7-10H2,(H,32,33)(H2,29,30,31);1-8,13-14H,9-12H2,(H,30,31)(H2,27,28,29);4-14H,1-3H3,(H2,22,24,25)(H,23,26,27).
What are the key properties of 4-[4-(2-aminopyrimidin-5-yl)phenyl]-N-[4-cyano-3-(trifluoromethyl)phenyl]oxane-4-carboxamide;2-[4-(2-aminopyrimidin-5-yl)phenyl]-2,3-dimethyl-N-pyridin-4-ylbutanamide;4-[4-(2-aminopyrimidin-5-yl)phenyl]-N-[4-(trifluoromethyl)phenyl]oxane-4-carboxamide;N-[5-(5-ethyl-3-pyridinyl)-2-pyridinyl]-4-[4-(1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]oxane-4-carboxamide;N-[5-(6-methoxy-3-pyridinyl)-2-pyridinyl]-4-[4-(1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]oxane-4-carboxamide?
4-[4-(2-aminopyrimidin-5-yl)phenyl]-N-[4-cyano-3-(trifluoromethyl)phenyl]oxane-4-carboxamide;2-[4-(2-aminopyrimidin-5-yl)phenyl]-2,3-dimethyl-N-pyridin-4-ylbutanamide;4-[4-(2-aminopyrimidin-5-yl)phenyl]-N-[4-(trifluoromethyl)phenyl]oxane-4-carboxamide;N-[5-(5-ethyl-3-pyridinyl)-2-pyridinyl]-4-[4-(1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]oxane-4-carboxamide;N-[5-(6-methoxy-3-pyridinyl)-2-pyridinyl]-4-[4-(1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]oxane-4-carboxamide has a molecular weight of 2280.52 g/mol, XLogP of 23.73, 25 rotatable bonds, 10 hydrogen bond donors, and 27 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(2-aminopyrimidin-5-yl)phenyl]-N-[4-cyano-3-(trifluoromethyl)phenyl]oxane-4-carboxamide;2-[4-(2-aminopyrimidin-5-yl)phenyl]-2,3-dimethyl-N-pyridin-4-ylbutanamide;4-[4-(2-aminopyrimidin-5-yl)phenyl]-N-[4-(trifluoromethyl)phenyl]oxane-4-carboxamide;N-[5-(5-ethyl-3-pyridinyl)-2-pyridinyl]-4-[4-(1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]oxane-4-carboxamide;N-[5-(6-methoxy-3-pyridinyl)-2-pyridinyl]-4-[4-(1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]oxane-4-carboxamide is sourced from PubChem (CID 157283667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).