5-[[(1S,1aR,6bR)-1-[3-[4-fluoro-3-(trifluoromethyl)phenyl]-2-oxopropyl]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-5-yl]oxy]-3,4-dihydro-1H-pyrido[2,3-d]pyrimidin-2-one;1-[(1S,1aS,6bR)-5-hydroxy-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-1-yl]butan-1-one;tert-butyl N-(4-fluoro-3-formyl-2-pyridinyl)carbamate;tert-butyl N-[4-fluoro-3-[[(4-methoxyphenyl)methylamino]methyl]-2-pyridinyl]carbamate;tert-butyl N-(4-fluoro-2-pyridinyl)carbamate;deuterio(iodo)methane;5-fluoro-3,4-dihydro-1H-pyrido[2,3-d]pyrimidin-2-one;4-fluoro-3-[[(4-methoxyphenyl)methylamino]methyl]pyridin-2-amine;5-fluoro-3-[(4-methoxyphenyl)methyl]-1,4-dihydropyrido[2,3-d]pyrimidin-2-one;(4-methoxyphenyl)methanamine

C124H133F10IN20O20 — CID 157382739

IUPAC5-[[(1S,1aR,6bR)-1-[3-[4-fluoro-3-(trifluoromethyl)phenyl]-2-oxopropyl]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-5-yl]oxy]-3,4-dihydro-1H-pyrido[2,3-d]pyrimidin-2-one;1-[(1S,1aS,6bR)-5-hydroxy-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-1-yl]butan-1-one;tert-butyl N-(4-fluoro-3-formyl-2-pyridinyl)carbamate;tert-butyl N-[4-fluoro-3-[[(4-methoxyphenyl)methylamino]methyl]-2-pyridinyl]carbamate;tert-butyl N-(4-fluoro-2-pyridinyl)carbamate;deuterio(iodo)methane;5-fluoro-3,4-dihydro-1H-pyrido[2,3-d]pyrimidin-2-one;4-fluoro-3-[[(4-methoxyphenyl)methylamino]methyl]pyridin-2-amine;5-fluoro-3-[(4-methoxyphenyl)methyl]-1,4-dihydropyrido[2,3-d]pyrimidin-2-one;(4-methoxyphenyl)methanamine
SMILESCC(C)(C)OC(=O)Nc1cc(F)ccn1.CC(C)(C)OC(=O)Nc1nccc(F)c1C=O.CCCC(=O)[C@@H]1[C@H]2Oc3ccc(O)cc3[C@H]21.COc1ccc(CN)cc1.COc1ccc(CN2Cc3c(F)ccnc3NC2=O)cc1.COc1ccc(CNCc2c(F)ccnc2N)cc1.COc1ccc(CNCc2c(F)ccnc2NC(=O)OC(C)(C)C)cc1.O=C(Cc1ccc(F)c(C(F)(F)F)c1)C[C@@H]1[C@H]2Oc3ccc(Oc4ccnc5c4CNC(=O)N5)cc3[C@@H]12.O=C1NCc2c(F)ccnc2N1.[2H]CI
InChIInChI=1S/C26H19F4N3O4.C19H24FN3O3.C15H14FN3O2.C14H16FN3O.C13H14O3.C11H13FN2O3.C10H13FN2O2.C8H11NO.C7H6FN3O.CH3I/c27-19-3-1-12(8-18(19)26(28,29)30)7-13(34)9-16-22-15-10-14(2-4-20(15)37-23(16)22)36-21-5-6-31-24-17(21)11-32-25(35)33-24;1-19(2,3)26-18(24)23-17-15(16(20)9-10-22-17)12-21-11-13-5-7-14(25-4)8-6-13;1-21-11-4-2-10(3-5-11)8-19-9-12-13(16)6-7-17-14(12)18-15(19)20;1-19-11-4-2-10(3-5-11)8-17-9-12-13(15)6-7-18-14(12)16;1-2-3-9(15)12-11-8-6-7(14)4-5-10(8)16-13(11)12;1-11(2,3)17-10(16)14-9-7(6-15)8(12)4-5-13-9;1-10(2,3)15-9(14)13-8-6-7(11)4-5-12-8;1-10-8-4-2-7(6-9)3-5-8;8-5-1-2-9-6-4(5)3-10-7(12)11-6;1-2/h1-6,8,10,16,22-23H,7,9,11H2,(H2,31,32,33,35);5-10,21H,11-12H2,1-4H3,(H,22,23,24);2-7H,8-9H2,1H3,(H,17,18,20);2-7,17H,8-9H2,1H3,(H2,16,18);4-6,11-14H,2-3H2,1H3;4-6H,1-3H3,(H,13,14,16);4-6H,1-3H3,(H,12,13,14);2-5H,6,9H2,1H3;1-2H,3H2,(H2,9,10,11,12);1H3/t16-,22-,23+;;;;11-,12-,13-;;;;;/m0...0...../s1/i;;;;;;;;;1D
InChIKeyBLBQIEPKGPHWSW-QVCFUADYSA-N
MW2541.44 g/mol
LogP24.33
Rot. Bonds28

About 5-[[(1S,1aR,6bR)-1-[3-[4-fluoro-3-(trifluoromethyl)phenyl]-2-oxopropyl]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-5-yl]oxy]-3,4-dihydro-1H-pyrido[2,3-d]pyrimidin-2-one;1-[(1S,1aS,6bR)-5-hydroxy-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-1-yl]butan-1-one;tert-butyl N-(4-fluoro-3-formyl-2-pyridinyl)carbamate;tert-butyl N-[4-fluoro-3-[[(4-methoxyphenyl)methylamino]methyl]-2-pyridinyl]carbamate;tert-butyl N-(4-fluoro-2-pyridinyl)carbamate;deuterio(iodo)methane;5-fluoro-3,4-dihydro-1H-pyrido[2,3-d]pyrimidin-2-one;4-fluoro-3-[[(4-methoxyphenyl)methylamino]methyl]pyridin-2-amine;5-fluoro-3-[(4-methoxyphenyl)methyl]-1,4-dihydropyrido[2,3-d]pyrimidin-2-one;(4-methoxyphenyl)methanamine

5-[[(1S,1aR,6bR)-1-[3-[4-fluoro-3-(trifluoromethyl)phenyl]-2-oxopropyl]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-5-yl]oxy]-3,4-dihydro-1H-pyrido[2,3-d]pyrimidin-2-one;1-[(1S,1aS,6bR)-5-hydroxy-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-1-yl]butan-1-one;tert-butyl N-(4-fluoro-3-formyl-2-pyridinyl)carbamate;tert-butyl N-[4-fluoro-3-[[(4-methoxyphenyl)methylamino]methyl]-2-pyridinyl]carbamate;tert-butyl N-(4-fluoro-2-pyridinyl)carbamate;deuterio(iodo)methane;5-fluoro-3,4-dihydro-1H-pyrido[2,3-d]pyrimidin-2-one;4-fluoro-3-[[(4-methoxyphenyl)methylamino]methyl]pyridin-2-amine;5-fluoro-3-[(4-methoxyphenyl)methyl]-1,4-dihydropyrido[2,3-d]pyrimidin-2-one;(4-methoxyphenyl)methanamine (PubChem CID 157382739) has the molecular formula C124H133F10IN20O20 and a molecular weight of 2541.44 g/mol. Its IUPAC name is 5-[[(1S,1aR,6bR)-1-[3-[4-fluoro-3-(trifluoromethyl)phenyl]-2-oxopropyl]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-5-yl]oxy]-3,4-dihydro-1H-pyrido[2,3-d]pyrimidin-2-one;1-[(1S,1aS,6bR)-5-hydroxy-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-1-yl]butan-1-one;tert-butyl N-(4-fluoro-3-formyl-2-pyridinyl)carbamate;tert-butyl N-[4-fluoro-3-[[(4-methoxyphenyl)methylamino]methyl]-2-pyridinyl]carbamate;tert-butyl N-(4-fluoro-2-pyridinyl)carbamate;deuterio(iodo)methane;5-fluoro-3,4-dihydro-1H-pyrido[2,3-d]pyrimidin-2-one;4-fluoro-3-[[(4-methoxyphenyl)methylamino]methyl]pyridin-2-amine;5-fluoro-3-[(4-methoxyphenyl)methyl]-1,4-dihydropyrido[2,3-d]pyrimidin-2-one;(4-methoxyphenyl)methanamine.

Molecular Properties

Compound Name5-[[(1S,1aR,6bR)-1-[3-[4-fluoro-3-(trifluoromethyl)phenyl]-2-oxopropyl]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-5-yl]oxy]-3,4-dihydro-1H-pyrido[2,3-d]pyrimidin-2-one;1-[(1S,1aS,6bR)-5-hydroxy-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-1-yl]butan-1-one;tert-butyl N-(4-fluoro-3-formyl-2-pyridinyl)carbamate;tert-butyl N-[4-fluoro-3-[[(4-methoxyphenyl)methylamino]methyl]-2-pyridinyl]carbamate;tert-butyl N-(4-fluoro-2-pyridinyl)carbamate;deuterio(iodo)methane;5-fluoro-3,4-dihydro-1H-pyrido[2,3-d]pyrimidin-2-one;4-fluoro-3-[[(4-methoxyphenyl)methylamino]methyl]pyridin-2-amine;5-fluoro-3-[(4-methoxyphenyl)methyl]-1,4-dihydropyrido[2,3-d]pyrimidin-2-one;(4-methoxyphenyl)methanamine
PubChem CID157382739
Molecular FormulaC124H133F10IN20O20
Molecular Weight2541.44 g/mol
Exact Mass2539.90
IUPAC Name5-[[(1S,1aR,6bR)-1-[3-[4-fluoro-3-(trifluoromethyl)phenyl]-2-oxopropyl]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-5-yl]oxy]-3,4-dihydro-1H-pyrido[2,3-d]pyrimidin-2-one;1-[(1S,1aS,6bR)-5-hydroxy-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-1-yl]butan-1-one;tert-butyl N-(4-fluoro-3-formyl-2-pyridinyl)carbamate;tert-butyl N-[4-fluoro-3-[[(4-methoxyphenyl)methylamino]methyl]-2-pyridinyl]carbamate;tert-butyl N-(4-fluoro-2-pyridinyl)carbamate;deuterio(iodo)methane;5-fluoro-3,4-dihydro-1H-pyrido[2,3-d]pyrimidin-2-one;4-fluoro-3-[[(4-methoxyphenyl)methylamino]methyl]pyridin-2-amine;5-fluoro-3-[(4-methoxyphenyl)methyl]-1,4-dihydropyrido[2,3-d]pyrimidin-2-one;(4-methoxyphenyl)methanamine
SMILESCC(C)(C)OC(=O)Nc1cc(F)ccn1.CC(C)(C)OC(=O)Nc1nccc(F)c1C=O.CCCC(=O)[C@@H]1[C@H]2Oc3ccc(O)cc3[C@H]21.COc1ccc(CN)cc1.COc1ccc(CN2Cc3c(F)ccnc3NC2=O)cc1.COc1ccc(CNCc2c(F)ccnc2N)cc1.COc1ccc(CNCc2c(F)ccnc2NC(=O)OC(C)(C)C)cc1.O=C(Cc1ccc(F)c(C(F)(F)F)c1)C[C@@H]1[C@H]2Oc3ccc(Oc4ccnc5c4CNC(=O)N5)cc3[C@@H]12.O=C1NCc2c(F)ccnc2N1.[2H]CI
InChIInChI=1S/C26H19F4N3O4.C19H24FN3O3.C15H14FN3O2.C14H16FN3O.C13H14O3.C11H13FN2O3.C10H13FN2O2.C8H11NO.C7H6FN3O.CH3I/c27-19-3-1-12(8-18(19)26(28,29)30)7-13(34)9-16-22-15-10-14(2-4-20(15)37-23(16)22)36-21-5-6-31-24-17(21)11-32-25(35)33-24;1-19(2,3)26-18(24)23-17-15(16(20)9-10-22-17)12-21-11-13-5-7-14(25-4)8-6-13;1-21-11-4-2-10(3-5-11)8-19-9-12-13(16)6-7-17-14(12)18-15(19)20;1-19-11-4-2-10(3-5-11)8-17-9-12-13(15)6-7-18-14(12)16;1-2-3-9(15)12-11-8-6-7(14)4-5-10(8)16-13(11)12;1-11(2,3)17-10(16)14-9-7(6-15)8(12)4-5-13-9;1-10(2,3)15-9(14)13-8-6-7(11)4-5-12-8;1-10-8-4-2-7(6-9)3-5-8;8-5-1-2-9-6-4(5)3-10-7(12)11-6;1-2/h1-6,8,10,16,22-23H,7,9,11H2,(H2,31,32,33,35);5-10,21H,11-12H2,1-4H3,(H,22,23,24);2-7H,8-9H2,1H3,(H,17,18,20);2-7,17H,8-9H2,1H3,(H2,16,18);4-6,11-14H,2-3H2,1H3;4-6H,1-3H3,(H,13,14,16);4-6H,1-3H3,(H,12,13,14);2-5H,6,9H2,1H3;1-2H,3H2,(H2,9,10,11,12);1H3/t16-,22-,23+;;;;11-,12-,13-;;;;;/m0...0...../s1/i;;;;;;;;;1D
InChIKeyBLBQIEPKGPHWSW-QVCFUADYSA-N
XLogP24.33
TPSA531.97 Ų
H-Bond Donors13
H-Bond Acceptors31
Rotatable Bonds28
Heavy Atoms175
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002541.44
LogP ≤ 524.33
H-Bond Donors ≤ 513
H-Bond Acceptors ≤ 1031

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

Analyze 5-[[(1S,1aR,6bR)-1-[3-[4-fluoro-3-(trifluoromethyl)phenyl]-2-oxopropyl]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-5-yl]oxy]-3,4-dihydro-1H-pyrido[2,3-d]pyrimidin-2-one;1-[(1S,1aS,6bR)-5-hydroxy-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-1-yl]butan-1-one;tert-butyl N-(4-fluoro-3-formyl-2-pyridinyl)carbamate;tert-butyl N-[4-fluoro-3-[[(4-methoxyphenyl)methylamino]methyl]-2-pyridinyl]carbamate;tert-butyl N-(4-fluoro-2-pyridinyl)carbamate;deuterio(iodo)methane;5-fluoro-3,4-dihydro-1H-pyrido[2,3-d]pyrimidin-2-one;4-fluoro-3-[[(4-methoxyphenyl)methylamino]methyl]pyridin-2-amine;5-fluoro-3-[(4-methoxyphenyl)methyl]-1,4-dihydropyrido[2,3-d]pyrimidin-2-one;(4-methoxyphenyl)methanamine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-[[(1S,1aR,6bR)-1-[3-[4-fluoro-3-(trifluoromethyl)phenyl]-2-oxopropyl]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-5-yl]oxy]-3,4-dihydro-1H-pyrido[2,3-d]pyrimidin-2-one;1-[(1S,1aS,6bR)-5-hydroxy-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-1-yl]butan-1-one;tert-butyl N-(4-fluoro-3-formyl-2-pyridinyl)carbamate;tert-butyl N-[4-fluoro-3-[[(4-methoxyphenyl)methylamino]methyl]-2-pyridinyl]carbamate;tert-butyl N-(4-fluoro-2-pyridinyl)carbamate;deuterio(iodo)methane;5-fluoro-3,4-dihydro-1H-pyrido[2,3-d]pyrimidin-2-one;4-fluoro-3-[[(4-methoxyphenyl)methylamino]methyl]pyridin-2-amine;5-fluoro-3-[(4-methoxyphenyl)methyl]-1,4-dihydropyrido[2,3-d]pyrimidin-2-one;(4-methoxyphenyl)methanamine?
The IUPAC name of 5-[[(1S,1aR,6bR)-1-[3-[4-fluoro-3-(trifluoromethyl)phenyl]-2-oxopropyl]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-5-yl]oxy]-3,4-dihydro-1H-pyrido[2,3-d]pyrimidin-2-one;1-[(1S,1aS,6bR)-5-hydroxy-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-1-yl]butan-1-one;tert-butyl N-(4-fluoro-3-formyl-2-pyridinyl)carbamate;tert-butyl N-[4-fluoro-3-[[(4-methoxyphenyl)methylamino]methyl]-2-pyridinyl]carbamate;tert-butyl N-(4-fluoro-2-pyridinyl)carbamate;deuterio(iodo)methane;5-fluoro-3,4-dihydro-1H-pyrido[2,3-d]pyrimidin-2-one;4-fluoro-3-[[(4-methoxyphenyl)methylamino]methyl]pyridin-2-amine;5-fluoro-3-[(4-methoxyphenyl)methyl]-1,4-dihydropyrido[2,3-d]pyrimidin-2-one;(4-methoxyphenyl)methanamine (CID 157382739) is 5-[[(1S,1aR,6bR)-1-[3-[4-fluoro-3-(trifluoromethyl)phenyl]-2-oxopropyl]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-5-yl]oxy]-3,4-dihydro-1H-pyrido[2,3-d]pyrimidin-2-one;1-[(1S,1aS,6bR)-5-hydroxy-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-1-yl]butan-1-one;tert-butyl N-(4-fluoro-3-formyl-2-pyridinyl)carbamate;tert-butyl N-[4-fluoro-3-[[(4-methoxyphenyl)methylamino]methyl]-2-pyridinyl]carbamate;tert-butyl N-(4-fluoro-2-pyridinyl)carbamate;deuterio(iodo)methane;5-fluoro-3,4-dihydro-1H-pyrido[2,3-d]pyrimidin-2-one;4-fluoro-3-[[(4-methoxyphenyl)methylamino]methyl]pyridin-2-amine;5-fluoro-3-[(4-methoxyphenyl)methyl]-1,4-dihydropyrido[2,3-d]pyrimidin-2-one;(4-methoxyphenyl)methanamine.
What is the SMILES notation for 5-[[(1S,1aR,6bR)-1-[3-[4-fluoro-3-(trifluoromethyl)phenyl]-2-oxopropyl]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-5-yl]oxy]-3,4-dihydro-1H-pyrido[2,3-d]pyrimidin-2-one;1-[(1S,1aS,6bR)-5-hydroxy-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-1-yl]butan-1-one;tert-butyl N-(4-fluoro-3-formyl-2-pyridinyl)carbamate;tert-butyl N-[4-fluoro-3-[[(4-methoxyphenyl)methylamino]methyl]-2-pyridinyl]carbamate;tert-butyl N-(4-fluoro-2-pyridinyl)carbamate;deuterio(iodo)methane;5-fluoro-3,4-dihydro-1H-pyrido[2,3-d]pyrimidin-2-one;4-fluoro-3-[[(4-methoxyphenyl)methylamino]methyl]pyridin-2-amine;5-fluoro-3-[(4-methoxyphenyl)methyl]-1,4-dihydropyrido[2,3-d]pyrimidin-2-one;(4-methoxyphenyl)methanamine?
The canonical SMILES for 5-[[(1S,1aR,6bR)-1-[3-[4-fluoro-3-(trifluoromethyl)phenyl]-2-oxopropyl]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-5-yl]oxy]-3,4-dihydro-1H-pyrido[2,3-d]pyrimidin-2-one;1-[(1S,1aS,6bR)-5-hydroxy-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-1-yl]butan-1-one;tert-butyl N-(4-fluoro-3-formyl-2-pyridinyl)carbamate;tert-butyl N-[4-fluoro-3-[[(4-methoxyphenyl)methylamino]methyl]-2-pyridinyl]carbamate;tert-butyl N-(4-fluoro-2-pyridinyl)carbamate;deuterio(iodo)methane;5-fluoro-3,4-dihydro-1H-pyrido[2,3-d]pyrimidin-2-one;4-fluoro-3-[[(4-methoxyphenyl)methylamino]methyl]pyridin-2-amine;5-fluoro-3-[(4-methoxyphenyl)methyl]-1,4-dihydropyrido[2,3-d]pyrimidin-2-one;(4-methoxyphenyl)methanamine is CC(C)(C)OC(=O)Nc1cc(F)ccn1.CC(C)(C)OC(=O)Nc1nccc(F)c1C=O.CCCC(=O)[C@@H]1[C@H]2Oc3ccc(O)cc3[C@H]21.COc1ccc(CN)cc1.COc1ccc(CN2Cc3c(F)ccnc3NC2=O)cc1.COc1ccc(CNCc2c(F)ccnc2N)cc1.COc1ccc(CNCc2c(F)ccnc2NC(=O)OC(C)(C)C)cc1.O=C(Cc1ccc(F)c(C(F)(F)F)c1)C[C@@H]1[C@H]2Oc3ccc(Oc4ccnc5c4CNC(=O)N5)cc3[C@@H]12.O=C1NCc2c(F)ccnc2N1.[2H]CI.
What is the InChIKey of 5-[[(1S,1aR,6bR)-1-[3-[4-fluoro-3-(trifluoromethyl)phenyl]-2-oxopropyl]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-5-yl]oxy]-3,4-dihydro-1H-pyrido[2,3-d]pyrimidin-2-one;1-[(1S,1aS,6bR)-5-hydroxy-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-1-yl]butan-1-one;tert-butyl N-(4-fluoro-3-formyl-2-pyridinyl)carbamate;tert-butyl N-[4-fluoro-3-[[(4-methoxyphenyl)methylamino]methyl]-2-pyridinyl]carbamate;tert-butyl N-(4-fluoro-2-pyridinyl)carbamate;deuterio(iodo)methane;5-fluoro-3,4-dihydro-1H-pyrido[2,3-d]pyrimidin-2-one;4-fluoro-3-[[(4-methoxyphenyl)methylamino]methyl]pyridin-2-amine;5-fluoro-3-[(4-methoxyphenyl)methyl]-1,4-dihydropyrido[2,3-d]pyrimidin-2-one;(4-methoxyphenyl)methanamine?
The InChIKey is BLBQIEPKGPHWSW-QVCFUADYSA-N. The full InChI is InChI=1S/C26H19F4N3O4.C19H24FN3O3.C15H14FN3O2.C14H16FN3O.C13H14O3.C11H13FN2O3.C10H13FN2O2.C8H11NO.C7H6FN3O.CH3I/c27-19-3-1-12(8-18(19)26(28,29)30)7-13(34)9-16-22-15-10-14(2-4-20(15)37-23(16)22)36-21-5-6-31-24-17(21)11-32-25(35)33-24;1-19(2,3)26-18(24)23-17-15(16(20)9-10-22-17)12-21-11-13-5-7-14(25-4)8-6-13;1-21-11-4-2-10(3-5-11)8-19-9-12-13(16)6-7-17-14(12)18-15(19)20;1-19-11-4-2-10(3-5-11)8-17-9-12-13(15)6-7-18-14(12)16;1-2-3-9(15)12-11-8-6-7(14)4-5-10(8)16-13(11)12;1-11(2,3)17-10(16)14-9-7(6-15)8(12)4-5-13-9;1-10(2,3)15-9(14)13-8-6-7(11)4-5-12-8;1-10-8-4-2-7(6-9)3-5-8;8-5-1-2-9-6-4(5)3-10-7(12)11-6;1-2/h1-6,8,10,16,22-23H,7,9,11H2,(H2,31,32,33,35);5-10,21H,11-12H2,1-4H3,(H,22,23,24);2-7H,8-9H2,1H3,(H,17,18,20);2-7,17H,8-9H2,1H3,(H2,16,18);4-6,11-14H,2-3H2,1H3;4-6H,1-3H3,(H,13,14,16);4-6H,1-3H3,(H,12,13,14);2-5H,6,9H2,1H3;1-2H,3H2,(H2,9,10,11,12);1H3/t16-,22-,23+;;;;11-,12-,13-;;;;;/m0...0...../s1/i;;;;;;;;;1D.
What are the key properties of 5-[[(1S,1aR,6bR)-1-[3-[4-fluoro-3-(trifluoromethyl)phenyl]-2-oxopropyl]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-5-yl]oxy]-3,4-dihydro-1H-pyrido[2,3-d]pyrimidin-2-one;1-[(1S,1aS,6bR)-5-hydroxy-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-1-yl]butan-1-one;tert-butyl N-(4-fluoro-3-formyl-2-pyridinyl)carbamate;tert-butyl N-[4-fluoro-3-[[(4-methoxyphenyl)methylamino]methyl]-2-pyridinyl]carbamate;tert-butyl N-(4-fluoro-2-pyridinyl)carbamate;deuterio(iodo)methane;5-fluoro-3,4-dihydro-1H-pyrido[2,3-d]pyrimidin-2-one;4-fluoro-3-[[(4-methoxyphenyl)methylamino]methyl]pyridin-2-amine;5-fluoro-3-[(4-methoxyphenyl)methyl]-1,4-dihydropyrido[2,3-d]pyrimidin-2-one;(4-methoxyphenyl)methanamine?
5-[[(1S,1aR,6bR)-1-[3-[4-fluoro-3-(trifluoromethyl)phenyl]-2-oxopropyl]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-5-yl]oxy]-3,4-dihydro-1H-pyrido[2,3-d]pyrimidin-2-one;1-[(1S,1aS,6bR)-5-hydroxy-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-1-yl]butan-1-one;tert-butyl N-(4-fluoro-3-formyl-2-pyridinyl)carbamate;tert-butyl N-[4-fluoro-3-[[(4-methoxyphenyl)methylamino]methyl]-2-pyridinyl]carbamate;tert-butyl N-(4-fluoro-2-pyridinyl)carbamate;deuterio(iodo)methane;5-fluoro-3,4-dihydro-1H-pyrido[2,3-d]pyrimidin-2-one;4-fluoro-3-[[(4-methoxyphenyl)methylamino]methyl]pyridin-2-amine;5-fluoro-3-[(4-methoxyphenyl)methyl]-1,4-dihydropyrido[2,3-d]pyrimidin-2-one;(4-methoxyphenyl)methanamine has a molecular weight of 2541.44 g/mol, XLogP of 24.33, 28 rotatable bonds, 13 hydrogen bond donors, and 31 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(1S,1aR,6bR)-1-[3-[4-fluoro-3-(trifluoromethyl)phenyl]-2-oxopropyl]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-5-yl]oxy]-3,4-dihydro-1H-pyrido[2,3-d]pyrimidin-2-one;1-[(1S,1aS,6bR)-5-hydroxy-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-1-yl]butan-1-one;tert-butyl N-(4-fluoro-3-formyl-2-pyridinyl)carbamate;tert-butyl N-[4-fluoro-3-[[(4-methoxyphenyl)methylamino]methyl]-2-pyridinyl]carbamate;tert-butyl N-(4-fluoro-2-pyridinyl)carbamate;deuterio(iodo)methane;5-fluoro-3,4-dihydro-1H-pyrido[2,3-d]pyrimidin-2-one;4-fluoro-3-[[(4-methoxyphenyl)methylamino]methyl]pyridin-2-amine;5-fluoro-3-[(4-methoxyphenyl)methyl]-1,4-dihydropyrido[2,3-d]pyrimidin-2-one;(4-methoxyphenyl)methanamine is sourced from PubChem (CID 157382739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).