4-[4-(6-amino-5-methyl-3-pyridinyl)phenyl]-N-[5-(2-methyl-1,3-thiazol-4-yl)-2-pyridinyl]oxane-4-carboxamide;4-[4-(2-aminopyrimidin-5-yl)phenyl]-N-(3-phenylphenyl)oxane-4-carboxamide;4-[4-(2-aminopyrimidin-5-yl)phenyl]-N-[5-(trifluoromethyl)-2-pyridinyl]oxane-4-carboxamide;tert-butyl 6-[[4-[4-(2-aminopyrimidin-5-yl)phenyl]oxane-4-carbonyl]amino]-3,4-dihydro-1H-isoquinoline-2-carboxylate;N-[5-(2-methyl-1,3-thiazol-4-yl)-2-pyridinyl]-4-[4-(1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]oxane-4-carboxamide

C135H133F3N24O12S2 — CID 158896350

IUPAC4-[4-(6-amino-5-methyl-3-pyridinyl)phenyl]-N-[5-(2-methyl-1,3-thiazol-4-yl)-2-pyridinyl]oxane-4-carboxamide;4-[4-(2-aminopyrimidin-5-yl)phenyl]-N-(3-phenylphenyl)oxane-4-carboxamide;4-[4-(2-aminopyrimidin-5-yl)phenyl]-N-[5-(trifluoromethyl)-2-pyridinyl]oxane-4-carboxamide;tert-butyl 6-[[4-[4-(2-aminopyrimidin-5-yl)phenyl]oxane-4-carbonyl]amino]-3,4-dihydro-1H-isoquinoline-2-carboxylate;N-[5-(2-methyl-1,3-thiazol-4-yl)-2-pyridinyl]-4-[4-(1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]oxane-4-carboxamide
SMILESCC(C)(C)OC(=O)N1CCc2cc(NC(=O)C3(c4ccc(-c5cnc(N)nc5)cc4)CCOCC3)ccc2C1.Cc1nc(-c2ccc(NC(=O)C3(c4ccc(-c5cnc(N)c(C)c5)cc4)CCOCC3)nc2)cs1.Cc1nc(-c2ccc(NC(=O)C3(c4ccc(-c5cnc6[nH]ccc6c5)cc4)CCOCC3)nc2)cs1.Nc1ncc(-c2ccc(C3(C(=O)Nc4ccc(C(F)(F)F)cn4)CCOCC3)cc2)cn1.Nc1ncc(-c2ccc(C3(C(=O)Nc4cccc(-c5ccccc5)c4)CCOCC3)cc2)cn1
InChIInChI=1S/C30H35N5O4.C28H25N5O2S.C28H26N4O2.C27H27N5O2S.C22H20F3N5O2/c1-29(2,3)39-28(37)35-13-10-21-16-25(9-6-22(21)19-35)34-26(36)30(11-14-38-15-12-30)24-7-4-20(5-8-24)23-17-32-27(31)33-18-23;1-18-32-24(17-36-18)21-4-7-25(30-15-21)33-27(34)28(9-12-35-13-10-28)23-5-2-19(3-6-23)22-14-20-8-11-29-26(20)31-16-22;29-27-30-18-23(19-31-27)21-9-11-24(12-10-21)28(13-15-34-16-14-28)26(33)32-25-8-4-7-22(17-25)20-5-2-1-3-6-20;1-17-13-21(15-30-25(17)28)19-3-6-22(7-4-19)27(9-11-34-12-10-27)26(33)32-24-8-5-20(14-29-24)23-16-35-18(2)31-23;23-22(24,25)17-5-6-18(27-13-17)30-19(31)21(7-9-32-10-8-21)16-3-1-14(2-4-16)15-11-28-20(26)29-12-15/h4-9,16-18H,10-15,19H2,1-3H3,(H,34,36)(H2,31,32,33);2-8,11,14-17H,9-10,12-13H2,1H3,(H,29,31)(H,30,33,34);1-12,17-19H,13-16H2,(H,32,33)(H2,29,30,31);3-8,13-16H,9-12H2,1-2H3,(H2,28,30)(H,29,32,33);1-6,11-13H,7-10H2,(H2,26,28,29)(H,27,30,31)
InChIKeyJEWMIPISEQHWOR-UHFFFAOYSA-N
MW2404.83 g/mol
LogP24.51
Rot. Bonds23

About 4-[4-(6-amino-5-methyl-3-pyridinyl)phenyl]-N-[5-(2-methyl-1,3-thiazol-4-yl)-2-pyridinyl]oxane-4-carboxamide;4-[4-(2-aminopyrimidin-5-yl)phenyl]-N-(3-phenylphenyl)oxane-4-carboxamide;4-[4-(2-aminopyrimidin-5-yl)phenyl]-N-[5-(trifluoromethyl)-2-pyridinyl]oxane-4-carboxamide;tert-butyl 6-[[4-[4-(2-aminopyrimidin-5-yl)phenyl]oxane-4-carbonyl]amino]-3,4-dihydro-1H-isoquinoline-2-carboxylate;N-[5-(2-methyl-1,3-thiazol-4-yl)-2-pyridinyl]-4-[4-(1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]oxane-4-carboxamide

4-[4-(6-amino-5-methyl-3-pyridinyl)phenyl]-N-[5-(2-methyl-1,3-thiazol-4-yl)-2-pyridinyl]oxane-4-carboxamide;4-[4-(2-aminopyrimidin-5-yl)phenyl]-N-(3-phenylphenyl)oxane-4-carboxamide;4-[4-(2-aminopyrimidin-5-yl)phenyl]-N-[5-(trifluoromethyl)-2-pyridinyl]oxane-4-carboxamide;tert-butyl 6-[[4-[4-(2-aminopyrimidin-5-yl)phenyl]oxane-4-carbonyl]amino]-3,4-dihydro-1H-isoquinoline-2-carboxylate;N-[5-(2-methyl-1,3-thiazol-4-yl)-2-pyridinyl]-4-[4-(1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]oxane-4-carboxamide (PubChem CID 158896350) has the molecular formula C135H133F3N24O12S2 and a molecular weight of 2404.83 g/mol. Its IUPAC name is 4-[4-(6-amino-5-methyl-3-pyridinyl)phenyl]-N-[5-(2-methyl-1,3-thiazol-4-yl)-2-pyridinyl]oxane-4-carboxamide;4-[4-(2-aminopyrimidin-5-yl)phenyl]-N-(3-phenylphenyl)oxane-4-carboxamide;4-[4-(2-aminopyrimidin-5-yl)phenyl]-N-[5-(trifluoromethyl)-2-pyridinyl]oxane-4-carboxamide;tert-butyl 6-[[4-[4-(2-aminopyrimidin-5-yl)phenyl]oxane-4-carbonyl]amino]-3,4-dihydro-1H-isoquinoline-2-carboxylate;N-[5-(2-methyl-1,3-thiazol-4-yl)-2-pyridinyl]-4-[4-(1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]oxane-4-carboxamide.

Molecular Properties

Compound Name4-[4-(6-amino-5-methyl-3-pyridinyl)phenyl]-N-[5-(2-methyl-1,3-thiazol-4-yl)-2-pyridinyl]oxane-4-carboxamide;4-[4-(2-aminopyrimidin-5-yl)phenyl]-N-(3-phenylphenyl)oxane-4-carboxamide;4-[4-(2-aminopyrimidin-5-yl)phenyl]-N-[5-(trifluoromethyl)-2-pyridinyl]oxane-4-carboxamide;tert-butyl 6-[[4-[4-(2-aminopyrimidin-5-yl)phenyl]oxane-4-carbonyl]amino]-3,4-dihydro-1H-isoquinoline-2-carboxylate;N-[5-(2-methyl-1,3-thiazol-4-yl)-2-pyridinyl]-4-[4-(1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]oxane-4-carboxamide
PubChem CID158896350
Molecular FormulaC135H133F3N24O12S2
Molecular Weight2404.83 g/mol
Exact Mass2402.99
IUPAC Name4-[4-(6-amino-5-methyl-3-pyridinyl)phenyl]-N-[5-(2-methyl-1,3-thiazol-4-yl)-2-pyridinyl]oxane-4-carboxamide;4-[4-(2-aminopyrimidin-5-yl)phenyl]-N-(3-phenylphenyl)oxane-4-carboxamide;4-[4-(2-aminopyrimidin-5-yl)phenyl]-N-[5-(trifluoromethyl)-2-pyridinyl]oxane-4-carboxamide;tert-butyl 6-[[4-[4-(2-aminopyrimidin-5-yl)phenyl]oxane-4-carbonyl]amino]-3,4-dihydro-1H-isoquinoline-2-carboxylate;N-[5-(2-methyl-1,3-thiazol-4-yl)-2-pyridinyl]-4-[4-(1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]oxane-4-carboxamide
SMILESCC(C)(C)OC(=O)N1CCc2cc(NC(=O)C3(c4ccc(-c5cnc(N)nc5)cc4)CCOCC3)ccc2C1.Cc1nc(-c2ccc(NC(=O)C3(c4ccc(-c5cnc(N)c(C)c5)cc4)CCOCC3)nc2)cs1.Cc1nc(-c2ccc(NC(=O)C3(c4ccc(-c5cnc6[nH]ccc6c5)cc4)CCOCC3)nc2)cs1.Nc1ncc(-c2ccc(C3(C(=O)Nc4ccc(C(F)(F)F)cn4)CCOCC3)cc2)cn1.Nc1ncc(-c2ccc(C3(C(=O)Nc4cccc(-c5ccccc5)c4)CCOCC3)cc2)cn1
InChIInChI=1S/C30H35N5O4.C28H25N5O2S.C28H26N4O2.C27H27N5O2S.C22H20F3N5O2/c1-29(2,3)39-28(37)35-13-10-21-16-25(9-6-22(21)19-35)34-26(36)30(11-14-38-15-12-30)24-7-4-20(5-8-24)23-17-32-27(31)33-18-23;1-18-32-24(17-36-18)21-4-7-25(30-15-21)33-27(34)28(9-12-35-13-10-28)23-5-2-19(3-6-23)22-14-20-8-11-29-26(20)31-16-22;29-27-30-18-23(19-31-27)21-9-11-24(12-10-21)28(13-15-34-16-14-28)26(33)32-25-8-4-7-22(17-25)20-5-2-1-3-6-20;1-17-13-21(15-30-25(17)28)19-3-6-22(7-4-19)27(9-11-34-12-10-27)26(33)32-24-8-5-20(14-29-24)23-16-35-18(2)31-23;23-22(24,25)17-5-6-18(27-13-17)30-19(31)21(7-9-32-10-8-21)16-3-1-14(2-4-16)15-11-28-20(26)29-12-15/h4-9,16-18H,10-15,19H2,1-3H3,(H,34,36)(H2,31,32,33);2-8,11,14-17H,9-10,12-13H2,1H3,(H,29,31)(H,30,33,34);1-12,17-19H,13-16H2,(H,32,33)(H2,29,30,31);3-8,13-16H,9-12H2,1-2H3,(H2,28,30)(H,29,32,33);1-6,11-13H,7-10H2,(H2,26,28,29)(H,27,30,31)
InChIKeyJEWMIPISEQHWOR-UHFFFAOYSA-N
XLogP24.51
TPSA508.63 Ų
H-Bond Donors10
H-Bond Acceptors31
Rotatable Bonds23
Heavy Atoms176
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002404.83
LogP ≤ 524.51
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1031

Analyze 4-[4-(6-amino-5-methyl-3-pyridinyl)phenyl]-N-[5-(2-methyl-1,3-thiazol-4-yl)-2-pyridinyl]oxane-4-carboxamide;4-[4-(2-aminopyrimidin-5-yl)phenyl]-N-(3-phenylphenyl)oxane-4-carboxamide;4-[4-(2-aminopyrimidin-5-yl)phenyl]-N-[5-(trifluoromethyl)-2-pyridinyl]oxane-4-carboxamide;tert-butyl 6-[[4-[4-(2-aminopyrimidin-5-yl)phenyl]oxane-4-carbonyl]amino]-3,4-dihydro-1H-isoquinoline-2-carboxylate;N-[5-(2-methyl-1,3-thiazol-4-yl)-2-pyridinyl]-4-[4-(1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]oxane-4-carboxamide 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 4-[4-(6-amino-5-methyl-3-pyridinyl)phenyl]-N-[5-(2-methyl-1,3-thiazol-4-yl)-2-pyridinyl]oxane-4-carboxamide;4-[4-(2-aminopyrimidin-5-yl)phenyl]-N-(3-phenylphenyl)oxane-4-carboxamide;4-[4-(2-aminopyrimidin-5-yl)phenyl]-N-[5-(trifluoromethyl)-2-pyridinyl]oxane-4-carboxamide;tert-butyl 6-[[4-[4-(2-aminopyrimidin-5-yl)phenyl]oxane-4-carbonyl]amino]-3,4-dihydro-1H-isoquinoline-2-carboxylate;N-[5-(2-methyl-1,3-thiazol-4-yl)-2-pyridinyl]-4-[4-(1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]oxane-4-carboxamide?
The IUPAC name of 4-[4-(6-amino-5-methyl-3-pyridinyl)phenyl]-N-[5-(2-methyl-1,3-thiazol-4-yl)-2-pyridinyl]oxane-4-carboxamide;4-[4-(2-aminopyrimidin-5-yl)phenyl]-N-(3-phenylphenyl)oxane-4-carboxamide;4-[4-(2-aminopyrimidin-5-yl)phenyl]-N-[5-(trifluoromethyl)-2-pyridinyl]oxane-4-carboxamide;tert-butyl 6-[[4-[4-(2-aminopyrimidin-5-yl)phenyl]oxane-4-carbonyl]amino]-3,4-dihydro-1H-isoquinoline-2-carboxylate;N-[5-(2-methyl-1,3-thiazol-4-yl)-2-pyridinyl]-4-[4-(1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]oxane-4-carboxamide (CID 158896350) is 4-[4-(6-amino-5-methyl-3-pyridinyl)phenyl]-N-[5-(2-methyl-1,3-thiazol-4-yl)-2-pyridinyl]oxane-4-carboxamide;4-[4-(2-aminopyrimidin-5-yl)phenyl]-N-(3-phenylphenyl)oxane-4-carboxamide;4-[4-(2-aminopyrimidin-5-yl)phenyl]-N-[5-(trifluoromethyl)-2-pyridinyl]oxane-4-carboxamide;tert-butyl 6-[[4-[4-(2-aminopyrimidin-5-yl)phenyl]oxane-4-carbonyl]amino]-3,4-dihydro-1H-isoquinoline-2-carboxylate;N-[5-(2-methyl-1,3-thiazol-4-yl)-2-pyridinyl]-4-[4-(1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]oxane-4-carboxamide.
What is the SMILES notation for 4-[4-(6-amino-5-methyl-3-pyridinyl)phenyl]-N-[5-(2-methyl-1,3-thiazol-4-yl)-2-pyridinyl]oxane-4-carboxamide;4-[4-(2-aminopyrimidin-5-yl)phenyl]-N-(3-phenylphenyl)oxane-4-carboxamide;4-[4-(2-aminopyrimidin-5-yl)phenyl]-N-[5-(trifluoromethyl)-2-pyridinyl]oxane-4-carboxamide;tert-butyl 6-[[4-[4-(2-aminopyrimidin-5-yl)phenyl]oxane-4-carbonyl]amino]-3,4-dihydro-1H-isoquinoline-2-carboxylate;N-[5-(2-methyl-1,3-thiazol-4-yl)-2-pyridinyl]-4-[4-(1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]oxane-4-carboxamide?
The canonical SMILES for 4-[4-(6-amino-5-methyl-3-pyridinyl)phenyl]-N-[5-(2-methyl-1,3-thiazol-4-yl)-2-pyridinyl]oxane-4-carboxamide;4-[4-(2-aminopyrimidin-5-yl)phenyl]-N-(3-phenylphenyl)oxane-4-carboxamide;4-[4-(2-aminopyrimidin-5-yl)phenyl]-N-[5-(trifluoromethyl)-2-pyridinyl]oxane-4-carboxamide;tert-butyl 6-[[4-[4-(2-aminopyrimidin-5-yl)phenyl]oxane-4-carbonyl]amino]-3,4-dihydro-1H-isoquinoline-2-carboxylate;N-[5-(2-methyl-1,3-thiazol-4-yl)-2-pyridinyl]-4-[4-(1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]oxane-4-carboxamide is CC(C)(C)OC(=O)N1CCc2cc(NC(=O)C3(c4ccc(-c5cnc(N)nc5)cc4)CCOCC3)ccc2C1.Cc1nc(-c2ccc(NC(=O)C3(c4ccc(-c5cnc(N)c(C)c5)cc4)CCOCC3)nc2)cs1.Cc1nc(-c2ccc(NC(=O)C3(c4ccc(-c5cnc6[nH]ccc6c5)cc4)CCOCC3)nc2)cs1.Nc1ncc(-c2ccc(C3(C(=O)Nc4ccc(C(F)(F)F)cn4)CCOCC3)cc2)cn1.Nc1ncc(-c2ccc(C3(C(=O)Nc4cccc(-c5ccccc5)c4)CCOCC3)cc2)cn1.
What is the InChIKey of 4-[4-(6-amino-5-methyl-3-pyridinyl)phenyl]-N-[5-(2-methyl-1,3-thiazol-4-yl)-2-pyridinyl]oxane-4-carboxamide;4-[4-(2-aminopyrimidin-5-yl)phenyl]-N-(3-phenylphenyl)oxane-4-carboxamide;4-[4-(2-aminopyrimidin-5-yl)phenyl]-N-[5-(trifluoromethyl)-2-pyridinyl]oxane-4-carboxamide;tert-butyl 6-[[4-[4-(2-aminopyrimidin-5-yl)phenyl]oxane-4-carbonyl]amino]-3,4-dihydro-1H-isoquinoline-2-carboxylate;N-[5-(2-methyl-1,3-thiazol-4-yl)-2-pyridinyl]-4-[4-(1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]oxane-4-carboxamide?
The InChIKey is JEWMIPISEQHWOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H35N5O4.C28H25N5O2S.C28H26N4O2.C27H27N5O2S.C22H20F3N5O2/c1-29(2,3)39-28(37)35-13-10-21-16-25(9-6-22(21)19-35)34-26(36)30(11-14-38-15-12-30)24-7-4-20(5-8-24)23-17-32-27(31)33-18-23;1-18-32-24(17-36-18)21-4-7-25(30-15-21)33-27(34)28(9-12-35-13-10-28)23-5-2-19(3-6-23)22-14-20-8-11-29-26(20)31-16-22;29-27-30-18-23(19-31-27)21-9-11-24(12-10-21)28(13-15-34-16-14-28)26(33)32-25-8-4-7-22(17-25)20-5-2-1-3-6-20;1-17-13-21(15-30-25(17)28)19-3-6-22(7-4-19)27(9-11-34-12-10-27)26(33)32-24-8-5-20(14-29-24)23-16-35-18(2)31-23;23-22(24,25)17-5-6-18(27-13-17)30-19(31)21(7-9-32-10-8-21)16-3-1-14(2-4-16)15-11-28-20(26)29-12-15/h4-9,16-18H,10-15,19H2,1-3H3,(H,34,36)(H2,31,32,33);2-8,11,14-17H,9-10,12-13H2,1H3,(H,29,31)(H,30,33,34);1-12,17-19H,13-16H2,(H,32,33)(H2,29,30,31);3-8,13-16H,9-12H2,1-2H3,(H2,28,30)(H,29,32,33);1-6,11-13H,7-10H2,(H2,26,28,29)(H,27,30,31).
What are the key properties of 4-[4-(6-amino-5-methyl-3-pyridinyl)phenyl]-N-[5-(2-methyl-1,3-thiazol-4-yl)-2-pyridinyl]oxane-4-carboxamide;4-[4-(2-aminopyrimidin-5-yl)phenyl]-N-(3-phenylphenyl)oxane-4-carboxamide;4-[4-(2-aminopyrimidin-5-yl)phenyl]-N-[5-(trifluoromethyl)-2-pyridinyl]oxane-4-carboxamide;tert-butyl 6-[[4-[4-(2-aminopyrimidin-5-yl)phenyl]oxane-4-carbonyl]amino]-3,4-dihydro-1H-isoquinoline-2-carboxylate;N-[5-(2-methyl-1,3-thiazol-4-yl)-2-pyridinyl]-4-[4-(1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]oxane-4-carboxamide?
4-[4-(6-amino-5-methyl-3-pyridinyl)phenyl]-N-[5-(2-methyl-1,3-thiazol-4-yl)-2-pyridinyl]oxane-4-carboxamide;4-[4-(2-aminopyrimidin-5-yl)phenyl]-N-(3-phenylphenyl)oxane-4-carboxamide;4-[4-(2-aminopyrimidin-5-yl)phenyl]-N-[5-(trifluoromethyl)-2-pyridinyl]oxane-4-carboxamide;tert-butyl 6-[[4-[4-(2-aminopyrimidin-5-yl)phenyl]oxane-4-carbonyl]amino]-3,4-dihydro-1H-isoquinoline-2-carboxylate;N-[5-(2-methyl-1,3-thiazol-4-yl)-2-pyridinyl]-4-[4-(1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]oxane-4-carboxamide has a molecular weight of 2404.83 g/mol, XLogP of 24.51, 23 rotatable bonds, 10 hydrogen bond donors, and 31 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(6-amino-5-methyl-3-pyridinyl)phenyl]-N-[5-(2-methyl-1,3-thiazol-4-yl)-2-pyridinyl]oxane-4-carboxamide;4-[4-(2-aminopyrimidin-5-yl)phenyl]-N-(3-phenylphenyl)oxane-4-carboxamide;4-[4-(2-aminopyrimidin-5-yl)phenyl]-N-[5-(trifluoromethyl)-2-pyridinyl]oxane-4-carboxamide;tert-butyl 6-[[4-[4-(2-aminopyrimidin-5-yl)phenyl]oxane-4-carbonyl]amino]-3,4-dihydro-1H-isoquinoline-2-carboxylate;N-[5-(2-methyl-1,3-thiazol-4-yl)-2-pyridinyl]-4-[4-(1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]oxane-4-carboxamide is sourced from PubChem (CID 158896350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).