2,2-difluoro-N-[4-[[3-(5-phenyl-1H-imidazol-2-yl)-3,4-dihydro-2H-chromen-6-yl]oxy]-2-pyridinyl]cyclopropane-1-carboxamide;1-fluoro-N-[4-[[3-(5-phenyl-1H-imidazol-2-yl)-3,4-dihydro-2H-chromen-6-yl]oxy]-2-pyridinyl]cyclopropane-1-carboxamide;2-morpholin-4-yl-N-[4-[[3-(5-phenyl-1H-imidazol-2-yl)-3,4-dihydro-2H-chromen-6-yl]oxy]-2-pyridinyl]acetamide;bis(N-[4-[[3-(5-phenyl-1H-imidazol-2-yl)-3,4-dihydro-2H-chromen-6-yl]oxy]-2-pyridinyl]cyclopropanecarboxamide);N-[4-[[3-(5-phenyl-1H-imidazol-2-yl)-3,4-dihydro-2H-chromen-6-yl]oxy]pyrimidin-2-yl]cyclopropanecarboxamide

C163H145F3N26O19 — CID 163469682

IUPAC2,2-difluoro-N-[4-[[3-(5-phenyl-1H-imidazol-2-yl)-3,4-dihydro-2H-chromen-6-yl]oxy]-2-pyridinyl]cyclopropane-1-carboxamide;1-fluoro-N-[4-[[3-(5-phenyl-1H-imidazol-2-yl)-3,4-dihydro-2H-chromen-6-yl]oxy]-2-pyridinyl]cyclopropane-1-carboxamide;2-morpholin-4-yl-N-[4-[[3-(5-phenyl-1H-imidazol-2-yl)-3,4-dihydro-2H-chromen-6-yl]oxy]-2-pyridinyl]acetamide;bis(N-[4-[[3-(5-phenyl-1H-imidazol-2-yl)-3,4-dihydro-2H-chromen-6-yl]oxy]-2-pyridinyl]cyclopropanecarboxamide);N-[4-[[3-(5-phenyl-1H-imidazol-2-yl)-3,4-dihydro-2H-chromen-6-yl]oxy]pyrimidin-2-yl]cyclopropanecarboxamide
SMILESO=C(CN1CCOCC1)Nc1cc(Oc2ccc3c(c2)CC(c2ncc(-c4ccccc4)[nH]2)CO3)ccn1.O=C(Nc1cc(Oc2ccc3c(c2)CC(c2ncc(-c4ccccc4)[nH]2)CO3)ccn1)C1(F)CC1.O=C(Nc1cc(Oc2ccc3c(c2)CC(c2ncc(-c4ccccc4)[nH]2)CO3)ccn1)C1CC1.O=C(Nc1cc(Oc2ccc3c(c2)CC(c2ncc(-c4ccccc4)[nH]2)CO3)ccn1)C1CC1.O=C(Nc1cc(Oc2ccc3c(c2)CC(c2ncc(-c4ccccc4)[nH]2)CO3)ccn1)C1CC1(F)F.O=C(Nc1nccc(Oc2ccc3c(c2)CC(c2ncc(-c4ccccc4)[nH]2)CO3)n1)C1CC1
InChIInChI=1S/C29H29N5O4.C27H22F2N4O3.C27H23FN4O3.2C27H24N4O3.C26H23N5O3/c35-28(18-34-10-12-36-13-11-34)33-27-16-24(8-9-30-27)38-23-6-7-26-21(15-23)14-22(19-37-26)29-31-17-25(32-29)20-4-2-1-3-5-20;28-27(29)13-21(27)26(34)33-24-12-20(8-9-30-24)36-19-6-7-23-17(11-19)10-18(15-35-23)25-31-14-22(32-25)16-4-2-1-3-5-16;28-27(9-10-27)26(33)32-24-14-21(8-11-29-24)35-20-6-7-23-18(13-20)12-19(16-34-23)25-30-15-22(31-25)17-4-2-1-3-5-17;2*32-27(18-6-7-18)31-25-14-22(10-11-28-25)34-21-8-9-24-19(13-21)12-20(16-33-24)26-29-15-23(30-26)17-4-2-1-3-5-17;32-25(17-6-7-17)31-26-27-11-10-23(30-26)34-20-8-9-22-18(13-20)12-19(15-33-22)24-28-14-21(29-24)16-4-2-1-3-5-16/h1-9,15-17,22H,10-14,18-19H2,(H,31,32)(H,30,33,35);1-9,11-12,14,18,21H,10,13,15H2,(H,31,32)(H,30,33,34);1-8,11,13-15,19H,9-10,12,16H2,(H,30,31)(H,29,32,33);2*1-5,8-11,13-15,18,20H,6-7,12,16H2,(H,29,30)(H,28,31,32);1-5,8-11,13-14,17,19H,6-7,12,15H2,(H,28,29)(H,27,30,31,32)
InChIKeyBVNLQTLRTJDLDV-UHFFFAOYSA-N
MW2829.11 g/mol
LogP30.64
Rot. Bonds37

About 2,2-difluoro-N-[4-[[3-(5-phenyl-1H-imidazol-2-yl)-3,4-dihydro-2H-chromen-6-yl]oxy]-2-pyridinyl]cyclopropane-1-carboxamide;1-fluoro-N-[4-[[3-(5-phenyl-1H-imidazol-2-yl)-3,4-dihydro-2H-chromen-6-yl]oxy]-2-pyridinyl]cyclopropane-1-carboxamide;2-morpholin-4-yl-N-[4-[[3-(5-phenyl-1H-imidazol-2-yl)-3,4-dihydro-2H-chromen-6-yl]oxy]-2-pyridinyl]acetamide;bis(N-[4-[[3-(5-phenyl-1H-imidazol-2-yl)-3,4-dihydro-2H-chromen-6-yl]oxy]-2-pyridinyl]cyclopropanecarboxamide);N-[4-[[3-(5-phenyl-1H-imidazol-2-yl)-3,4-dihydro-2H-chromen-6-yl]oxy]pyrimidin-2-yl]cyclopropanecarboxamide

2,2-difluoro-N-[4-[[3-(5-phenyl-1H-imidazol-2-yl)-3,4-dihydro-2H-chromen-6-yl]oxy]-2-pyridinyl]cyclopropane-1-carboxamide;1-fluoro-N-[4-[[3-(5-phenyl-1H-imidazol-2-yl)-3,4-dihydro-2H-chromen-6-yl]oxy]-2-pyridinyl]cyclopropane-1-carboxamide;2-morpholin-4-yl-N-[4-[[3-(5-phenyl-1H-imidazol-2-yl)-3,4-dihydro-2H-chromen-6-yl]oxy]-2-pyridinyl]acetamide;bis(N-[4-[[3-(5-phenyl-1H-imidazol-2-yl)-3,4-dihydro-2H-chromen-6-yl]oxy]-2-pyridinyl]cyclopropanecarboxamide);N-[4-[[3-(5-phenyl-1H-imidazol-2-yl)-3,4-dihydro-2H-chromen-6-yl]oxy]pyrimidin-2-yl]cyclopropanecarboxamide (PubChem CID 163469682) has the molecular formula C163H145F3N26O19 and a molecular weight of 2829.11 g/mol. Its IUPAC name is 2,2-difluoro-N-[4-[[3-(5-phenyl-1H-imidazol-2-yl)-3,4-dihydro-2H-chromen-6-yl]oxy]-2-pyridinyl]cyclopropane-1-carboxamide;1-fluoro-N-[4-[[3-(5-phenyl-1H-imidazol-2-yl)-3,4-dihydro-2H-chromen-6-yl]oxy]-2-pyridinyl]cyclopropane-1-carboxamide;2-morpholin-4-yl-N-[4-[[3-(5-phenyl-1H-imidazol-2-yl)-3,4-dihydro-2H-chromen-6-yl]oxy]-2-pyridinyl]acetamide;bis(N-[4-[[3-(5-phenyl-1H-imidazol-2-yl)-3,4-dihydro-2H-chromen-6-yl]oxy]-2-pyridinyl]cyclopropanecarboxamide);N-[4-[[3-(5-phenyl-1H-imidazol-2-yl)-3,4-dihydro-2H-chromen-6-yl]oxy]pyrimidin-2-yl]cyclopropanecarboxamide.

Molecular Properties

Compound Name2,2-difluoro-N-[4-[[3-(5-phenyl-1H-imidazol-2-yl)-3,4-dihydro-2H-chromen-6-yl]oxy]-2-pyridinyl]cyclopropane-1-carboxamide;1-fluoro-N-[4-[[3-(5-phenyl-1H-imidazol-2-yl)-3,4-dihydro-2H-chromen-6-yl]oxy]-2-pyridinyl]cyclopropane-1-carboxamide;2-morpholin-4-yl-N-[4-[[3-(5-phenyl-1H-imidazol-2-yl)-3,4-dihydro-2H-chromen-6-yl]oxy]-2-pyridinyl]acetamide;bis(N-[4-[[3-(5-phenyl-1H-imidazol-2-yl)-3,4-dihydro-2H-chromen-6-yl]oxy]-2-pyridinyl]cyclopropanecarboxamide);N-[4-[[3-(5-phenyl-1H-imidazol-2-yl)-3,4-dihydro-2H-chromen-6-yl]oxy]pyrimidin-2-yl]cyclopropanecarboxamide
PubChem CID163469682
Molecular FormulaC163H145F3N26O19
Molecular Weight2829.11 g/mol
Exact Mass2827.11
IUPAC Name2,2-difluoro-N-[4-[[3-(5-phenyl-1H-imidazol-2-yl)-3,4-dihydro-2H-chromen-6-yl]oxy]-2-pyridinyl]cyclopropane-1-carboxamide;1-fluoro-N-[4-[[3-(5-phenyl-1H-imidazol-2-yl)-3,4-dihydro-2H-chromen-6-yl]oxy]-2-pyridinyl]cyclopropane-1-carboxamide;2-morpholin-4-yl-N-[4-[[3-(5-phenyl-1H-imidazol-2-yl)-3,4-dihydro-2H-chromen-6-yl]oxy]-2-pyridinyl]acetamide;bis(N-[4-[[3-(5-phenyl-1H-imidazol-2-yl)-3,4-dihydro-2H-chromen-6-yl]oxy]-2-pyridinyl]cyclopropanecarboxamide);N-[4-[[3-(5-phenyl-1H-imidazol-2-yl)-3,4-dihydro-2H-chromen-6-yl]oxy]pyrimidin-2-yl]cyclopropanecarboxamide
SMILESO=C(CN1CCOCC1)Nc1cc(Oc2ccc3c(c2)CC(c2ncc(-c4ccccc4)[nH]2)CO3)ccn1.O=C(Nc1cc(Oc2ccc3c(c2)CC(c2ncc(-c4ccccc4)[nH]2)CO3)ccn1)C1(F)CC1.O=C(Nc1cc(Oc2ccc3c(c2)CC(c2ncc(-c4ccccc4)[nH]2)CO3)ccn1)C1CC1.O=C(Nc1cc(Oc2ccc3c(c2)CC(c2ncc(-c4ccccc4)[nH]2)CO3)ccn1)C1CC1.O=C(Nc1cc(Oc2ccc3c(c2)CC(c2ncc(-c4ccccc4)[nH]2)CO3)ccn1)C1CC1(F)F.O=C(Nc1nccc(Oc2ccc3c(c2)CC(c2ncc(-c4ccccc4)[nH]2)CO3)n1)C1CC1
InChIInChI=1S/C29H29N5O4.C27H22F2N4O3.C27H23FN4O3.2C27H24N4O3.C26H23N5O3/c35-28(18-34-10-12-36-13-11-34)33-27-16-24(8-9-30-27)38-23-6-7-26-21(15-23)14-22(19-37-26)29-31-17-25(32-29)20-4-2-1-3-5-20;28-27(29)13-21(27)26(34)33-24-12-20(8-9-30-24)36-19-6-7-23-17(11-19)10-18(15-35-23)25-31-14-22(32-25)16-4-2-1-3-5-16;28-27(9-10-27)26(33)32-24-14-21(8-11-29-24)35-20-6-7-23-18(13-20)12-19(16-34-23)25-30-15-22(31-25)17-4-2-1-3-5-17;2*32-27(18-6-7-18)31-25-14-22(10-11-28-25)34-21-8-9-24-19(13-21)12-20(16-33-24)26-29-15-23(30-26)17-4-2-1-3-5-17;32-25(17-6-7-17)31-26-27-11-10-23(30-26)34-20-8-9-22-18(13-20)12-19(15-33-22)24-28-14-21(29-24)16-4-2-1-3-5-16/h1-9,15-17,22H,10-14,18-19H2,(H,31,32)(H,30,33,35);1-9,11-12,14,18,21H,10,13,15H2,(H,31,32)(H,30,33,34);1-8,11,13-15,19H,9-10,12,16H2,(H,30,31)(H,29,32,33);2*1-5,8-11,13-15,18,20H,6-7,12,16H2,(H,29,30)(H,28,31,32);1-5,8-11,13-14,17,19H,6-7,12,15H2,(H,28,29)(H,27,30,31,32)
InChIKeyBVNLQTLRTJDLDV-UHFFFAOYSA-N
XLogP30.64
TPSA560.14 Ų
H-Bond Donors12
H-Bond Acceptors33
Rotatable Bonds37
Heavy Atoms211
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002829.11
LogP ≤ 530.64
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1033

Analyze 2,2-difluoro-N-[4-[[3-(5-phenyl-1H-imidazol-2-yl)-3,4-dihydro-2H-chromen-6-yl]oxy]-2-pyridinyl]cyclopropane-1-carboxamide;1-fluoro-N-[4-[[3-(5-phenyl-1H-imidazol-2-yl)-3,4-dihydro-2H-chromen-6-yl]oxy]-2-pyridinyl]cyclopropane-1-carboxamide;2-morpholin-4-yl-N-[4-[[3-(5-phenyl-1H-imidazol-2-yl)-3,4-dihydro-2H-chromen-6-yl]oxy]-2-pyridinyl]acetamide;bis(N-[4-[[3-(5-phenyl-1H-imidazol-2-yl)-3,4-dihydro-2H-chromen-6-yl]oxy]-2-pyridinyl]cyclopropanecarboxamide);N-[4-[[3-(5-phenyl-1H-imidazol-2-yl)-3,4-dihydro-2H-chromen-6-yl]oxy]pyrimidin-2-yl]cyclopropanecarboxamide with MolForge

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Related Compounds

1-[(1S,1aR,6bR)-5-(1H-imidazo[4,5-b]pyridin-7-yloxy)-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-1-yl]-3-[4-fluoro-3-(trifluoromethyl)phenyl]propan-2-one;1-[(1S,1aR,6bR)-5-(7H-purin-6-yloxy)-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-1-yl]-3-(2,4-difluorophenyl)propan-2-one;1-[(1S,1aR,6bR)-5-pyridin-4-yloxy-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-1-yl]-3-[3-(trifluoromethyl)phenyl]propan-2-one;1-[(1S,1aR,6bR)-5-pyridin-4-yloxy-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-1-yl]-3-(2,4,5-trifluorophenyl)propan-2-one
CID 160102164
CID 160581018
CID 160581018
ethyl 5-[(7-oxo-6,8-dihydro-5H-1,8-naphthyridin-4-yl)oxy]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-1-carboxylate;5-[[1-(hydroxymethyl)-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-5-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one;5-[(7-oxo-6,8-dihydro-5H-1,8-naphthyridin-4-yl)oxy]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-1-carbaldehyde;bis(5-[[1-[5-(trifluoromethyl)-1H-imidazol-2-yl]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-5-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one)
CID 161099206
5-[[1-(1H-benzimidazol-2-yl)-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-5-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one;5-[[1-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-5-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one
CID 161785833
5-[[3-[5-(2,4-dimethoxypyrimidin-5-yl)-1H-imidazol-2-yl]-3,4-dihydro-2H-chromen-6-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one;5-[[3-[5-[3-[(dimethylamino)methyl]-5-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]-3,4-dihydro-2H-chromen-6-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one;5-[[3-[5-(3-methoxyphenyl)-1H-imidazol-2-yl]-3,4-dihydro-2H-chromen-6-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one;bis(5-[[3-[5-(4-methylphenyl)-1H-imidazol-2-yl]-3,4-dihydro-2H-chromen-6-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one);5-[[3-[5-[3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]-3,4-dihydro-2H-chromen-6-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one
CID 163523451
5-[[3-[5-(3-cyclopropyl-1-methylpyrazol-5-yl)-1H-imidazol-2-yl]-3,4-dihydro-2H-chromen-6-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one;5-[[3-[5-(1,3-dimethylpyrazol-4-yl)-1H-imidazol-2-yl]-3,4-dihydro-2H-chromen-6-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one;5-[[3-[5-(3-ethyl-1-methylpyrazol-5-yl)-1H-imidazol-2-yl]-3,4-dihydro-2H-chromen-6-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one;5-[[3-[5-(6-methyl-3-pyridinyl)-1H-imidazol-2-yl]-3,4-dihydro-2H-chromen-6-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one;5-[[3-[5-(5-methylthiophen-2-yl)-1H-imidazol-2-yl]-3,4-dihydro-2H-chromen-6-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one;5-[[3-[5-[5-methyl-2-(2,2,2-trifluoroethyl)pyrazol-3-yl]-1H-imidazol-2-yl]-3,4-dihydro-2H-chromen-6-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one
CID 163618667
5-[[3-[5-(2-fluoro-5-methylphenyl)-1H-imidazol-2-yl]-3,4-dihydro-2H-chromen-6-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one;5-[[3-[5-(3-fluorophenyl)-1H-imidazol-2-yl]-3,4-dihydro-2H-chromen-6-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one;5-[[3-[5-(5-methoxy-3-pyridinyl)-1H-imidazol-2-yl]-3,4-dihydro-2H-chromen-6-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one;5-[[3-[5-[3-(3-methylbutyl)-5-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]-3,4-dihydro-2H-chromen-6-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one;5-[[3-[5-(2-methylphenyl)-1H-imidazol-2-yl]-3,4-dihydro-2H-chromen-6-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one;5-[[3-[5-(3-methylphenyl)-1H-imidazol-2-yl]-3,4-dihydro-2H-chromen-6-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one
CID 163652781
CID 163686222
CID 163686222
3,3-difluoro-N-[4-[[3-(5-phenyl-1H-imidazol-2-yl)-3,4-dihydro-2H-chromen-6-yl]oxy]-2-pyridinyl]cyclobutane-1-carboxamide;2-morpholin-4-yl-N-[4-[[3-(5-phenyl-1H-imidazol-2-yl)-3,4-dihydro-2H-chromen-6-yl]oxy]-2-pyridinyl]propanamide;4-[[3-(5-phenyl-1H-imidazol-2-yl)-3,4-dihydro-2H-chromen-6-yl]oxy]-N-pyridin-2-ylpyridin-2-amine;N-[4-[[3-(5-phenyl-1H-imidazol-2-yl)-3,4-dihydro-2H-chromen-6-yl]oxy]-2-pyridinyl]-2-pyrrolidin-1-ylacetamide;N-[6-[[3-(5-phenyl-1H-imidazol-2-yl)-3,4-dihydro-2H-chromen-6-yl]oxy]pyrimidin-4-yl]cyclopropanecarboxamide
CID 163909339
8-cyclopropyl-N-[(2-methoxy-4-pyridinyl)methyl]-7H-purin-6-amine;8-cyclopropyl-N-(pyridin-3-ylmethyl)-7H-purin-6-amine;N-[(3R)-2,3-dihydro-1-benzofuran-3-yl]-5-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;N-(3,4-dihydro-2H-chromen-4-yl)-5-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;N-[(4R)-3,4-dihydro-2H-chromen-4-yl]-5-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;N-(3,4-dihydro-1H-isochromen-4-yl)-5-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;N-[(1R)-1-phenylethyl]-5-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;N-(pyridin-3-ylmethyl)-5-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;N-(1,2,3,4-tetrahydronaphthalen-1-yl)-5-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 164960847
8-cyclopropyl-N-[(1S)-1-phenylethyl]-7H-purin-6-amine;8-cyclopropyl-N-[(1R)-1-phenylethyl]-7H-purin-6-amine;N-[(3S)-2,3-dihydro-1-benzofuran-3-yl]-5-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-5-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;N-[(1S)-1-phenylethyl]-5-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;N-[(1S)-1-pyridin-3-ylethyl]-5-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;N-(1-pyridin-3-ylpropyl)-5-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;N-[5-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]-5,6,7,8-tetrahydroisoquinolin-8-amine
CID 165034555
2-(2-Ethoxy-4-phenylphenyl)-1,7-dihydropurin-6-one;2-(2-ethoxy-4-pyridin-2-ylphenyl)-1,7-dihydropurin-6-one;2-(2-ethoxy-4-pyridin-3-ylphenyl)-1,7-dihydropurin-6-one;2-(2-ethoxy-4-pyridin-4-ylphenyl)-1,7-dihydropurin-6-one;2-(2-ethoxy-4-pyrimidin-2-ylphenyl)-1,7-dihydropurin-6-one
CID 157083316

Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-N-[4-[[3-(5-phenyl-1H-imidazol-2-yl)-3,4-dihydro-2H-chromen-6-yl]oxy]-2-pyridinyl]cyclopropane-1-carboxamide;1-fluoro-N-[4-[[3-(5-phenyl-1H-imidazol-2-yl)-3,4-dihydro-2H-chromen-6-yl]oxy]-2-pyridinyl]cyclopropane-1-carboxamide;2-morpholin-4-yl-N-[4-[[3-(5-phenyl-1H-imidazol-2-yl)-3,4-dihydro-2H-chromen-6-yl]oxy]-2-pyridinyl]acetamide;bis(N-[4-[[3-(5-phenyl-1H-imidazol-2-yl)-3,4-dihydro-2H-chromen-6-yl]oxy]-2-pyridinyl]cyclopropanecarboxamide);N-[4-[[3-(5-phenyl-1H-imidazol-2-yl)-3,4-dihydro-2H-chromen-6-yl]oxy]pyrimidin-2-yl]cyclopropanecarboxamide?
The IUPAC name of 2,2-difluoro-N-[4-[[3-(5-phenyl-1H-imidazol-2-yl)-3,4-dihydro-2H-chromen-6-yl]oxy]-2-pyridinyl]cyclopropane-1-carboxamide;1-fluoro-N-[4-[[3-(5-phenyl-1H-imidazol-2-yl)-3,4-dihydro-2H-chromen-6-yl]oxy]-2-pyridinyl]cyclopropane-1-carboxamide;2-morpholin-4-yl-N-[4-[[3-(5-phenyl-1H-imidazol-2-yl)-3,4-dihydro-2H-chromen-6-yl]oxy]-2-pyridinyl]acetamide;bis(N-[4-[[3-(5-phenyl-1H-imidazol-2-yl)-3,4-dihydro-2H-chromen-6-yl]oxy]-2-pyridinyl]cyclopropanecarboxamide);N-[4-[[3-(5-phenyl-1H-imidazol-2-yl)-3,4-dihydro-2H-chromen-6-yl]oxy]pyrimidin-2-yl]cyclopropanecarboxamide (CID 163469682) is 2,2-difluoro-N-[4-[[3-(5-phenyl-1H-imidazol-2-yl)-3,4-dihydro-2H-chromen-6-yl]oxy]-2-pyridinyl]cyclopropane-1-carboxamide;1-fluoro-N-[4-[[3-(5-phenyl-1H-imidazol-2-yl)-3,4-dihydro-2H-chromen-6-yl]oxy]-2-pyridinyl]cyclopropane-1-carboxamide;2-morpholin-4-yl-N-[4-[[3-(5-phenyl-1H-imidazol-2-yl)-3,4-dihydro-2H-chromen-6-yl]oxy]-2-pyridinyl]acetamide;bis(N-[4-[[3-(5-phenyl-1H-imidazol-2-yl)-3,4-dihydro-2H-chromen-6-yl]oxy]-2-pyridinyl]cyclopropanecarboxamide);N-[4-[[3-(5-phenyl-1H-imidazol-2-yl)-3,4-dihydro-2H-chromen-6-yl]oxy]pyrimidin-2-yl]cyclopropanecarboxamide.
What is the SMILES notation for 2,2-difluoro-N-[4-[[3-(5-phenyl-1H-imidazol-2-yl)-3,4-dihydro-2H-chromen-6-yl]oxy]-2-pyridinyl]cyclopropane-1-carboxamide;1-fluoro-N-[4-[[3-(5-phenyl-1H-imidazol-2-yl)-3,4-dihydro-2H-chromen-6-yl]oxy]-2-pyridinyl]cyclopropane-1-carboxamide;2-morpholin-4-yl-N-[4-[[3-(5-phenyl-1H-imidazol-2-yl)-3,4-dihydro-2H-chromen-6-yl]oxy]-2-pyridinyl]acetamide;bis(N-[4-[[3-(5-phenyl-1H-imidazol-2-yl)-3,4-dihydro-2H-chromen-6-yl]oxy]-2-pyridinyl]cyclopropanecarboxamide);N-[4-[[3-(5-phenyl-1H-imidazol-2-yl)-3,4-dihydro-2H-chromen-6-yl]oxy]pyrimidin-2-yl]cyclopropanecarboxamide?
The canonical SMILES for 2,2-difluoro-N-[4-[[3-(5-phenyl-1H-imidazol-2-yl)-3,4-dihydro-2H-chromen-6-yl]oxy]-2-pyridinyl]cyclopropane-1-carboxamide;1-fluoro-N-[4-[[3-(5-phenyl-1H-imidazol-2-yl)-3,4-dihydro-2H-chromen-6-yl]oxy]-2-pyridinyl]cyclopropane-1-carboxamide;2-morpholin-4-yl-N-[4-[[3-(5-phenyl-1H-imidazol-2-yl)-3,4-dihydro-2H-chromen-6-yl]oxy]-2-pyridinyl]acetamide;bis(N-[4-[[3-(5-phenyl-1H-imidazol-2-yl)-3,4-dihydro-2H-chromen-6-yl]oxy]-2-pyridinyl]cyclopropanecarboxamide);N-[4-[[3-(5-phenyl-1H-imidazol-2-yl)-3,4-dihydro-2H-chromen-6-yl]oxy]pyrimidin-2-yl]cyclopropanecarboxamide is O=C(CN1CCOCC1)Nc1cc(Oc2ccc3c(c2)CC(c2ncc(-c4ccccc4)[nH]2)CO3)ccn1.O=C(Nc1cc(Oc2ccc3c(c2)CC(c2ncc(-c4ccccc4)[nH]2)CO3)ccn1)C1(F)CC1.O=C(Nc1cc(Oc2ccc3c(c2)CC(c2ncc(-c4ccccc4)[nH]2)CO3)ccn1)C1CC1.O=C(Nc1cc(Oc2ccc3c(c2)CC(c2ncc(-c4ccccc4)[nH]2)CO3)ccn1)C1CC1.O=C(Nc1cc(Oc2ccc3c(c2)CC(c2ncc(-c4ccccc4)[nH]2)CO3)ccn1)C1CC1(F)F.O=C(Nc1nccc(Oc2ccc3c(c2)CC(c2ncc(-c4ccccc4)[nH]2)CO3)n1)C1CC1.
What is the InChIKey of 2,2-difluoro-N-[4-[[3-(5-phenyl-1H-imidazol-2-yl)-3,4-dihydro-2H-chromen-6-yl]oxy]-2-pyridinyl]cyclopropane-1-carboxamide;1-fluoro-N-[4-[[3-(5-phenyl-1H-imidazol-2-yl)-3,4-dihydro-2H-chromen-6-yl]oxy]-2-pyridinyl]cyclopropane-1-carboxamide;2-morpholin-4-yl-N-[4-[[3-(5-phenyl-1H-imidazol-2-yl)-3,4-dihydro-2H-chromen-6-yl]oxy]-2-pyridinyl]acetamide;bis(N-[4-[[3-(5-phenyl-1H-imidazol-2-yl)-3,4-dihydro-2H-chromen-6-yl]oxy]-2-pyridinyl]cyclopropanecarboxamide);N-[4-[[3-(5-phenyl-1H-imidazol-2-yl)-3,4-dihydro-2H-chromen-6-yl]oxy]pyrimidin-2-yl]cyclopropanecarboxamide?
The InChIKey is BVNLQTLRTJDLDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H29N5O4.C27H22F2N4O3.C27H23FN4O3.2C27H24N4O3.C26H23N5O3/c35-28(18-34-10-12-36-13-11-34)33-27-16-24(8-9-30-27)38-23-6-7-26-21(15-23)14-22(19-37-26)29-31-17-25(32-29)20-4-2-1-3-5-20;28-27(29)13-21(27)26(34)33-24-12-20(8-9-30-24)36-19-6-7-23-17(11-19)10-18(15-35-23)25-31-14-22(32-25)16-4-2-1-3-5-16;28-27(9-10-27)26(33)32-24-14-21(8-11-29-24)35-20-6-7-23-18(13-20)12-19(16-34-23)25-30-15-22(31-25)17-4-2-1-3-5-17;2*32-27(18-6-7-18)31-25-14-22(10-11-28-25)34-21-8-9-24-19(13-21)12-20(16-33-24)26-29-15-23(30-26)17-4-2-1-3-5-17;32-25(17-6-7-17)31-26-27-11-10-23(30-26)34-20-8-9-22-18(13-20)12-19(15-33-22)24-28-14-21(29-24)16-4-2-1-3-5-16/h1-9,15-17,22H,10-14,18-19H2,(H,31,32)(H,30,33,35);1-9,11-12,14,18,21H,10,13,15H2,(H,31,32)(H,30,33,34);1-8,11,13-15,19H,9-10,12,16H2,(H,30,31)(H,29,32,33);2*1-5,8-11,13-15,18,20H,6-7,12,16H2,(H,29,30)(H,28,31,32);1-5,8-11,13-14,17,19H,6-7,12,15H2,(H,28,29)(H,27,30,31,32).
What are the key properties of 2,2-difluoro-N-[4-[[3-(5-phenyl-1H-imidazol-2-yl)-3,4-dihydro-2H-chromen-6-yl]oxy]-2-pyridinyl]cyclopropane-1-carboxamide;1-fluoro-N-[4-[[3-(5-phenyl-1H-imidazol-2-yl)-3,4-dihydro-2H-chromen-6-yl]oxy]-2-pyridinyl]cyclopropane-1-carboxamide;2-morpholin-4-yl-N-[4-[[3-(5-phenyl-1H-imidazol-2-yl)-3,4-dihydro-2H-chromen-6-yl]oxy]-2-pyridinyl]acetamide;bis(N-[4-[[3-(5-phenyl-1H-imidazol-2-yl)-3,4-dihydro-2H-chromen-6-yl]oxy]-2-pyridinyl]cyclopropanecarboxamide);N-[4-[[3-(5-phenyl-1H-imidazol-2-yl)-3,4-dihydro-2H-chromen-6-yl]oxy]pyrimidin-2-yl]cyclopropanecarboxamide?
2,2-difluoro-N-[4-[[3-(5-phenyl-1H-imidazol-2-yl)-3,4-dihydro-2H-chromen-6-yl]oxy]-2-pyridinyl]cyclopropane-1-carboxamide;1-fluoro-N-[4-[[3-(5-phenyl-1H-imidazol-2-yl)-3,4-dihydro-2H-chromen-6-yl]oxy]-2-pyridinyl]cyclopropane-1-carboxamide;2-morpholin-4-yl-N-[4-[[3-(5-phenyl-1H-imidazol-2-yl)-3,4-dihydro-2H-chromen-6-yl]oxy]-2-pyridinyl]acetamide;bis(N-[4-[[3-(5-phenyl-1H-imidazol-2-yl)-3,4-dihydro-2H-chromen-6-yl]oxy]-2-pyridinyl]cyclopropanecarboxamide);N-[4-[[3-(5-phenyl-1H-imidazol-2-yl)-3,4-dihydro-2H-chromen-6-yl]oxy]pyrimidin-2-yl]cyclopropanecarboxamide has a molecular weight of 2829.11 g/mol, XLogP of 30.64, 37 rotatable bonds, 12 hydrogen bond donors, and 33 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-N-[4-[[3-(5-phenyl-1H-imidazol-2-yl)-3,4-dihydro-2H-chromen-6-yl]oxy]-2-pyridinyl]cyclopropane-1-carboxamide;1-fluoro-N-[4-[[3-(5-phenyl-1H-imidazol-2-yl)-3,4-dihydro-2H-chromen-6-yl]oxy]-2-pyridinyl]cyclopropane-1-carboxamide;2-morpholin-4-yl-N-[4-[[3-(5-phenyl-1H-imidazol-2-yl)-3,4-dihydro-2H-chromen-6-yl]oxy]-2-pyridinyl]acetamide;bis(N-[4-[[3-(5-phenyl-1H-imidazol-2-yl)-3,4-dihydro-2H-chromen-6-yl]oxy]-2-pyridinyl]cyclopropanecarboxamide);N-[4-[[3-(5-phenyl-1H-imidazol-2-yl)-3,4-dihydro-2H-chromen-6-yl]oxy]pyrimidin-2-yl]cyclopropanecarboxamide is sourced from PubChem (CID 163469682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).