4-[4-(2-aminopyrimidin-5-yl)phenyl]-N-(5-phenoxy-2-pyridinyl)oxane-4-carboxamide;4-[4-(2-aminopyrimidin-5-yl)phenyl]-N-(4-pyridin-3-ylphenyl)oxane-4-carboxamide;4-[4-(2-aminopyrimidin-5-yl)phenyl]-N-[3-(trifluoromethylsulfonyl)phenyl]oxane-4-carboxamide;N-(5-phenoxy-2-pyridinyl)-4-[4-(1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]oxane-4-carboxamide

C107H97F3N18O12S — CID 158455734

IUPAC4-[4-(2-aminopyrimidin-5-yl)phenyl]-N-(5-phenoxy-2-pyridinyl)oxane-4-carboxamide;4-[4-(2-aminopyrimidin-5-yl)phenyl]-N-(4-pyridin-3-ylphenyl)oxane-4-carboxamide;4-[4-(2-aminopyrimidin-5-yl)phenyl]-N-[3-(trifluoromethylsulfonyl)phenyl]oxane-4-carboxamide;N-(5-phenoxy-2-pyridinyl)-4-[4-(1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]oxane-4-carboxamide
SMILESNc1ncc(-c2ccc(C3(C(=O)Nc4ccc(-c5cccnc5)cc4)CCOCC3)cc2)cn1.Nc1ncc(-c2ccc(C3(C(=O)Nc4ccc(Oc5ccccc5)cn4)CCOCC3)cc2)cn1.Nc1ncc(-c2ccc(C3(C(=O)Nc4cccc(S(=O)(=O)C(F)(F)F)c4)CCOCC3)cc2)cn1.O=C(Nc1ccc(Oc2ccccc2)cn1)C1(c2ccc(-c3cnc4[nH]ccc4c3)cc2)CCOCC1
InChIInChI=1S/C30H26N4O3.C27H25N5O3.C27H25N5O2.C23H21F3N4O4S/c35-29(34-27-11-10-26(20-32-27)37-25-4-2-1-3-5-25)30(13-16-36-17-14-30)24-8-6-21(7-9-24)23-18-22-12-15-31-28(22)33-19-23;28-26-30-16-20(17-31-26)19-6-8-21(9-7-19)27(12-14-34-15-13-27)25(33)32-24-11-10-23(18-29-24)35-22-4-2-1-3-5-22;28-26-30-17-22(18-31-26)20-3-7-23(8-4-20)27(11-14-34-15-12-27)25(33)32-24-9-5-19(6-10-24)21-2-1-13-29-16-21;24-23(25,26)35(32,33)19-3-1-2-18(12-19)30-20(31)22(8-10-34-11-9-22)17-6-4-15(5-7-17)16-13-28-21(27)29-14-16/h1-12,15,18-20H,13-14,16-17H2,(H,31,33)(H,32,34,35);1-11,16-18H,12-15H2,(H2,28,30,31)(H,29,32,33);1-10,13,16-18H,11-12,14-15H2,(H,32,33)(H2,28,30,31);1-7,12-14H,8-11H2,(H,30,31)(H2,27,28,29)
InChIKeyHENTZJBIEKNBPU-UHFFFAOYSA-N
MW1916.13 g/mol
LogP18.89
Rot. Bonds22

About 4-[4-(2-aminopyrimidin-5-yl)phenyl]-N-(5-phenoxy-2-pyridinyl)oxane-4-carboxamide;4-[4-(2-aminopyrimidin-5-yl)phenyl]-N-(4-pyridin-3-ylphenyl)oxane-4-carboxamide;4-[4-(2-aminopyrimidin-5-yl)phenyl]-N-[3-(trifluoromethylsulfonyl)phenyl]oxane-4-carboxamide;N-(5-phenoxy-2-pyridinyl)-4-[4-(1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]oxane-4-carboxamide

4-[4-(2-aminopyrimidin-5-yl)phenyl]-N-(5-phenoxy-2-pyridinyl)oxane-4-carboxamide;4-[4-(2-aminopyrimidin-5-yl)phenyl]-N-(4-pyridin-3-ylphenyl)oxane-4-carboxamide;4-[4-(2-aminopyrimidin-5-yl)phenyl]-N-[3-(trifluoromethylsulfonyl)phenyl]oxane-4-carboxamide;N-(5-phenoxy-2-pyridinyl)-4-[4-(1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]oxane-4-carboxamide (PubChem CID 158455734) has the molecular formula C107H97F3N18O12S and a molecular weight of 1916.13 g/mol. Its IUPAC name is 4-[4-(2-aminopyrimidin-5-yl)phenyl]-N-(5-phenoxy-2-pyridinyl)oxane-4-carboxamide;4-[4-(2-aminopyrimidin-5-yl)phenyl]-N-(4-pyridin-3-ylphenyl)oxane-4-carboxamide;4-[4-(2-aminopyrimidin-5-yl)phenyl]-N-[3-(trifluoromethylsulfonyl)phenyl]oxane-4-carboxamide;N-(5-phenoxy-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-(5-phenoxy-2-pyridinyl)oxane-4-carboxamide;4-[4-(2-aminopyrimidin-5-yl)phenyl]-N-(4-pyridin-3-ylphenyl)oxane-4-carboxamide;4-[4-(2-aminopyrimidin-5-yl)phenyl]-N-[3-(trifluoromethylsulfonyl)phenyl]oxane-4-carboxamide;N-(5-phenoxy-2-pyridinyl)-4-[4-(1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]oxane-4-carboxamide
PubChem CID158455734
Molecular FormulaC107H97F3N18O12S
Molecular Weight1916.13 g/mol
Exact Mass1914.72
IUPAC Name4-[4-(2-aminopyrimidin-5-yl)phenyl]-N-(5-phenoxy-2-pyridinyl)oxane-4-carboxamide;4-[4-(2-aminopyrimidin-5-yl)phenyl]-N-(4-pyridin-3-ylphenyl)oxane-4-carboxamide;4-[4-(2-aminopyrimidin-5-yl)phenyl]-N-[3-(trifluoromethylsulfonyl)phenyl]oxane-4-carboxamide;N-(5-phenoxy-2-pyridinyl)-4-[4-(1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]oxane-4-carboxamide
SMILESNc1ncc(-c2ccc(C3(C(=O)Nc4ccc(-c5cccnc5)cc4)CCOCC3)cc2)cn1.Nc1ncc(-c2ccc(C3(C(=O)Nc4ccc(Oc5ccccc5)cn4)CCOCC3)cc2)cn1.Nc1ncc(-c2ccc(C3(C(=O)Nc4cccc(S(=O)(=O)C(F)(F)F)c4)CCOCC3)cc2)cn1.O=C(Nc1ccc(Oc2ccccc2)cn1)C1(c2ccc(-c3cnc4[nH]ccc4c3)cc2)CCOCC1
InChIInChI=1S/C30H26N4O3.C27H25N5O3.C27H25N5O2.C23H21F3N4O4S/c35-29(34-27-11-10-26(20-32-27)37-25-4-2-1-3-5-25)30(13-16-36-17-14-30)24-8-6-21(7-9-24)23-18-22-12-15-31-28(22)33-19-23;28-26-30-16-20(17-31-26)19-6-8-21(9-7-19)27(12-14-34-15-13-27)25(33)32-24-11-10-23(18-29-24)35-22-4-2-1-3-5-22;28-26-30-17-22(18-31-26)20-3-7-23(8-4-20)27(11-14-34-15-12-27)25(33)32-24-9-5-19(6-10-24)21-2-1-13-29-16-21;24-23(25,26)35(32,33)19-3-1-2-18(12-19)30-20(31)22(8-10-34-11-9-22)17-6-4-15(5-7-17)16-13-28-21(27)29-14-16/h1-12,15,18-20H,13-14,16-17H2,(H,31,33)(H,32,34,35);1-11,16-18H,12-15H2,(H2,28,30,31)(H,29,32,33);1-10,13,16-18H,11-12,14-15H2,(H,32,33)(H2,28,30,31);1-7,12-14H,8-11H2,(H,30,31)(H2,27,28,29)
InChIKeyHENTZJBIEKNBPU-UHFFFAOYSA-N
XLogP18.89
TPSA428.67 Ų
H-Bond Donors8
H-Bond Acceptors25
Rotatable Bonds22
Heavy Atoms141
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001916.13
LogP ≤ 518.89
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1025

Analyze 4-[4-(2-aminopyrimidin-5-yl)phenyl]-N-(5-phenoxy-2-pyridinyl)oxane-4-carboxamide;4-[4-(2-aminopyrimidin-5-yl)phenyl]-N-(4-pyridin-3-ylphenyl)oxane-4-carboxamide;4-[4-(2-aminopyrimidin-5-yl)phenyl]-N-[3-(trifluoromethylsulfonyl)phenyl]oxane-4-carboxamide;N-(5-phenoxy-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-(5-phenoxy-2-pyridinyl)oxane-4-carboxamide;4-[4-(2-aminopyrimidin-5-yl)phenyl]-N-(4-pyridin-3-ylphenyl)oxane-4-carboxamide;4-[4-(2-aminopyrimidin-5-yl)phenyl]-N-[3-(trifluoromethylsulfonyl)phenyl]oxane-4-carboxamide;N-(5-phenoxy-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-(5-phenoxy-2-pyridinyl)oxane-4-carboxamide;4-[4-(2-aminopyrimidin-5-yl)phenyl]-N-(4-pyridin-3-ylphenyl)oxane-4-carboxamide;4-[4-(2-aminopyrimidin-5-yl)phenyl]-N-[3-(trifluoromethylsulfonyl)phenyl]oxane-4-carboxamide;N-(5-phenoxy-2-pyridinyl)-4-[4-(1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]oxane-4-carboxamide (CID 158455734) is 4-[4-(2-aminopyrimidin-5-yl)phenyl]-N-(5-phenoxy-2-pyridinyl)oxane-4-carboxamide;4-[4-(2-aminopyrimidin-5-yl)phenyl]-N-(4-pyridin-3-ylphenyl)oxane-4-carboxamide;4-[4-(2-aminopyrimidin-5-yl)phenyl]-N-[3-(trifluoromethylsulfonyl)phenyl]oxane-4-carboxamide;N-(5-phenoxy-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-(5-phenoxy-2-pyridinyl)oxane-4-carboxamide;4-[4-(2-aminopyrimidin-5-yl)phenyl]-N-(4-pyridin-3-ylphenyl)oxane-4-carboxamide;4-[4-(2-aminopyrimidin-5-yl)phenyl]-N-[3-(trifluoromethylsulfonyl)phenyl]oxane-4-carboxamide;N-(5-phenoxy-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-(5-phenoxy-2-pyridinyl)oxane-4-carboxamide;4-[4-(2-aminopyrimidin-5-yl)phenyl]-N-(4-pyridin-3-ylphenyl)oxane-4-carboxamide;4-[4-(2-aminopyrimidin-5-yl)phenyl]-N-[3-(trifluoromethylsulfonyl)phenyl]oxane-4-carboxamide;N-(5-phenoxy-2-pyridinyl)-4-[4-(1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]oxane-4-carboxamide is Nc1ncc(-c2ccc(C3(C(=O)Nc4ccc(-c5cccnc5)cc4)CCOCC3)cc2)cn1.Nc1ncc(-c2ccc(C3(C(=O)Nc4ccc(Oc5ccccc5)cn4)CCOCC3)cc2)cn1.Nc1ncc(-c2ccc(C3(C(=O)Nc4cccc(S(=O)(=O)C(F)(F)F)c4)CCOCC3)cc2)cn1.O=C(Nc1ccc(Oc2ccccc2)cn1)C1(c2ccc(-c3cnc4[nH]ccc4c3)cc2)CCOCC1.
What is the InChIKey of 4-[4-(2-aminopyrimidin-5-yl)phenyl]-N-(5-phenoxy-2-pyridinyl)oxane-4-carboxamide;4-[4-(2-aminopyrimidin-5-yl)phenyl]-N-(4-pyridin-3-ylphenyl)oxane-4-carboxamide;4-[4-(2-aminopyrimidin-5-yl)phenyl]-N-[3-(trifluoromethylsulfonyl)phenyl]oxane-4-carboxamide;N-(5-phenoxy-2-pyridinyl)-4-[4-(1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]oxane-4-carboxamide?
The InChIKey is HENTZJBIEKNBPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H26N4O3.C27H25N5O3.C27H25N5O2.C23H21F3N4O4S/c35-29(34-27-11-10-26(20-32-27)37-25-4-2-1-3-5-25)30(13-16-36-17-14-30)24-8-6-21(7-9-24)23-18-22-12-15-31-28(22)33-19-23;28-26-30-16-20(17-31-26)19-6-8-21(9-7-19)27(12-14-34-15-13-27)25(33)32-24-11-10-23(18-29-24)35-22-4-2-1-3-5-22;28-26-30-17-22(18-31-26)20-3-7-23(8-4-20)27(11-14-34-15-12-27)25(33)32-24-9-5-19(6-10-24)21-2-1-13-29-16-21;24-23(25,26)35(32,33)19-3-1-2-18(12-19)30-20(31)22(8-10-34-11-9-22)17-6-4-15(5-7-17)16-13-28-21(27)29-14-16/h1-12,15,18-20H,13-14,16-17H2,(H,31,33)(H,32,34,35);1-11,16-18H,12-15H2,(H2,28,30,31)(H,29,32,33);1-10,13,16-18H,11-12,14-15H2,(H,32,33)(H2,28,30,31);1-7,12-14H,8-11H2,(H,30,31)(H2,27,28,29).
What are the key properties of 4-[4-(2-aminopyrimidin-5-yl)phenyl]-N-(5-phenoxy-2-pyridinyl)oxane-4-carboxamide;4-[4-(2-aminopyrimidin-5-yl)phenyl]-N-(4-pyridin-3-ylphenyl)oxane-4-carboxamide;4-[4-(2-aminopyrimidin-5-yl)phenyl]-N-[3-(trifluoromethylsulfonyl)phenyl]oxane-4-carboxamide;N-(5-phenoxy-2-pyridinyl)-4-[4-(1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]oxane-4-carboxamide?
4-[4-(2-aminopyrimidin-5-yl)phenyl]-N-(5-phenoxy-2-pyridinyl)oxane-4-carboxamide;4-[4-(2-aminopyrimidin-5-yl)phenyl]-N-(4-pyridin-3-ylphenyl)oxane-4-carboxamide;4-[4-(2-aminopyrimidin-5-yl)phenyl]-N-[3-(trifluoromethylsulfonyl)phenyl]oxane-4-carboxamide;N-(5-phenoxy-2-pyridinyl)-4-[4-(1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]oxane-4-carboxamide has a molecular weight of 1916.13 g/mol, XLogP of 18.89, 22 rotatable bonds, 8 hydrogen bond donors, and 25 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(2-aminopyrimidin-5-yl)phenyl]-N-(5-phenoxy-2-pyridinyl)oxane-4-carboxamide;4-[4-(2-aminopyrimidin-5-yl)phenyl]-N-(4-pyridin-3-ylphenyl)oxane-4-carboxamide;4-[4-(2-aminopyrimidin-5-yl)phenyl]-N-[3-(trifluoromethylsulfonyl)phenyl]oxane-4-carboxamide;N-(5-phenoxy-2-pyridinyl)-4-[4-(1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]oxane-4-carboxamide is sourced from PubChem (CID 158455734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).