4-[(5-fluoro-6-pyrazol-1-yl-3-pyridinyl)methyl]-N-[(1S,2S)-2-hydroxycyclohexyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide;N-[(1S,2S)-2-hydroxycyclohexyl]-4-[(5-pyrazol-1-yl-2-pyridinyl)methyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide;N-[(1S,2S)-2-hydroxycyclohexyl]-4-[(5-pyrazol-1-ylpyrimidin-2-yl)methyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide;N-[(1S,2S)-2-hydroxycyclohexyl]-4-[[4-(triazol-1-yl)phenyl]methyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide;N-[(1S,2S)-2-hydroxycyclohexyl]-4-[[4-(triazol-2-yl)phenyl]methyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide

C119H133FN26O15 — CID 159290033

IUPAC4-[(5-fluoro-6-pyrazol-1-yl-3-pyridinyl)methyl]-N-[(1S,2S)-2-hydroxycyclohexyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide;N-[(1S,2S)-2-hydroxycyclohexyl]-4-[(5-pyrazol-1-yl-2-pyridinyl)methyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide;N-[(1S,2S)-2-hydroxycyclohexyl]-4-[(5-pyrazol-1-ylpyrimidin-2-yl)methyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide;N-[(1S,2S)-2-hydroxycyclohexyl]-4-[[4-(triazol-1-yl)phenyl]methyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide;N-[(1S,2S)-2-hydroxycyclohexyl]-4-[[4-(triazol-2-yl)phenyl]methyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide
SMILESO=C(N[C@H]1CCCC[C@@H]1O)C1CN(Cc2ccc(-n3cccn3)cn2)c2ccccc2O1.O=C(N[C@H]1CCCC[C@@H]1O)C1CN(Cc2ccc(-n3ccnn3)cc2)c2ccccc2O1.O=C(N[C@H]1CCCC[C@@H]1O)C1CN(Cc2ccc(-n3nccn3)cc2)c2ccccc2O1.O=C(N[C@H]1CCCC[C@@H]1O)C1CN(Cc2cnc(-n3cccn3)c(F)c2)c2ccccc2O1.O=C(N[C@H]1CCCC[C@@H]1O)C1CN(Cc2ncc(-n3cccn3)cn2)c2ccccc2O1
InChIInChI=1S/C24H26FN5O3.3C24H27N5O3.C23H26N6O3/c25-17-12-16(13-26-23(17)30-11-5-10-27-30)14-29-15-22(33-21-9-4-2-7-19(21)29)24(32)28-18-6-1-3-8-20(18)31;30-21-8-3-1-6-19(21)27-24(31)23-16-28(20-7-2-4-9-22(20)32-23)15-17-10-11-18(14-25-17)29-13-5-12-26-29;30-21-7-3-1-5-19(21)26-24(31)23-16-28(20-6-2-4-8-22(20)32-23)15-17-9-11-18(12-10-17)29-14-13-25-27-29;30-21-7-3-1-5-19(21)27-24(31)23-16-28(20-6-2-4-8-22(20)32-23)15-17-9-11-18(12-10-17)29-25-13-14-26-29;30-19-8-3-1-6-17(19)27-23(31)21-14-28(18-7-2-4-9-20(18)32-21)15-22-24-12-16(13-25-22)29-11-5-10-26-29/h2,4-5,7,9-13,18,20,22,31H,1,3,6,8,14-15H2,(H,28,32);2,4-5,7,9-14,19,21,23,30H,1,3,6,8,15-16H2,(H,27,31);2,4,6,8-14,19,21,23,30H,1,3,5,7,15-16H2,(H,26,31);2,4,6,8-14,19,21,23,30H,1,3,5,7,15-16H2,(H,27,31);2,4-5,7,9-13,17,19,21,30H,1,3,6,8,14-15H2,(H,27,31)/t18-,20-,22?;3*19-,21-,23?;17-,19-,21?/m00000/s1
InChIKeyKZZNUWRFMUERSE-PTKUFUOBSA-N
MW2186.54 g/mol
LogP11.81
Rot. Bonds25

About 4-[(5-fluoro-6-pyrazol-1-yl-3-pyridinyl)methyl]-N-[(1S,2S)-2-hydroxycyclohexyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide;N-[(1S,2S)-2-hydroxycyclohexyl]-4-[(5-pyrazol-1-yl-2-pyridinyl)methyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide;N-[(1S,2S)-2-hydroxycyclohexyl]-4-[(5-pyrazol-1-ylpyrimidin-2-yl)methyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide;N-[(1S,2S)-2-hydroxycyclohexyl]-4-[[4-(triazol-1-yl)phenyl]methyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide;N-[(1S,2S)-2-hydroxycyclohexyl]-4-[[4-(triazol-2-yl)phenyl]methyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide

4-[(5-fluoro-6-pyrazol-1-yl-3-pyridinyl)methyl]-N-[(1S,2S)-2-hydroxycyclohexyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide;N-[(1S,2S)-2-hydroxycyclohexyl]-4-[(5-pyrazol-1-yl-2-pyridinyl)methyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide;N-[(1S,2S)-2-hydroxycyclohexyl]-4-[(5-pyrazol-1-ylpyrimidin-2-yl)methyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide;N-[(1S,2S)-2-hydroxycyclohexyl]-4-[[4-(triazol-1-yl)phenyl]methyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide;N-[(1S,2S)-2-hydroxycyclohexyl]-4-[[4-(triazol-2-yl)phenyl]methyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide (PubChem CID 159290033) has the molecular formula C119H133FN26O15 and a molecular weight of 2186.54 g/mol. Its IUPAC name is 4-[(5-fluoro-6-pyrazol-1-yl-3-pyridinyl)methyl]-N-[(1S,2S)-2-hydroxycyclohexyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide;N-[(1S,2S)-2-hydroxycyclohexyl]-4-[(5-pyrazol-1-yl-2-pyridinyl)methyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide;N-[(1S,2S)-2-hydroxycyclohexyl]-4-[(5-pyrazol-1-ylpyrimidin-2-yl)methyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide;N-[(1S,2S)-2-hydroxycyclohexyl]-4-[[4-(triazol-1-yl)phenyl]methyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide;N-[(1S,2S)-2-hydroxycyclohexyl]-4-[[4-(triazol-2-yl)phenyl]methyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide.

Molecular Properties

Compound Name4-[(5-fluoro-6-pyrazol-1-yl-3-pyridinyl)methyl]-N-[(1S,2S)-2-hydroxycyclohexyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide;N-[(1S,2S)-2-hydroxycyclohexyl]-4-[(5-pyrazol-1-yl-2-pyridinyl)methyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide;N-[(1S,2S)-2-hydroxycyclohexyl]-4-[(5-pyrazol-1-ylpyrimidin-2-yl)methyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide;N-[(1S,2S)-2-hydroxycyclohexyl]-4-[[4-(triazol-1-yl)phenyl]methyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide;N-[(1S,2S)-2-hydroxycyclohexyl]-4-[[4-(triazol-2-yl)phenyl]methyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide
PubChem CID159290033
Molecular FormulaC119H133FN26O15
Molecular Weight2186.54 g/mol
Exact Mass2185.04
IUPAC Name4-[(5-fluoro-6-pyrazol-1-yl-3-pyridinyl)methyl]-N-[(1S,2S)-2-hydroxycyclohexyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide;N-[(1S,2S)-2-hydroxycyclohexyl]-4-[(5-pyrazol-1-yl-2-pyridinyl)methyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide;N-[(1S,2S)-2-hydroxycyclohexyl]-4-[(5-pyrazol-1-ylpyrimidin-2-yl)methyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide;N-[(1S,2S)-2-hydroxycyclohexyl]-4-[[4-(triazol-1-yl)phenyl]methyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide;N-[(1S,2S)-2-hydroxycyclohexyl]-4-[[4-(triazol-2-yl)phenyl]methyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide
SMILESO=C(N[C@H]1CCCC[C@@H]1O)C1CN(Cc2ccc(-n3cccn3)cn2)c2ccccc2O1.O=C(N[C@H]1CCCC[C@@H]1O)C1CN(Cc2ccc(-n3ccnn3)cc2)c2ccccc2O1.O=C(N[C@H]1CCCC[C@@H]1O)C1CN(Cc2ccc(-n3nccn3)cc2)c2ccccc2O1.O=C(N[C@H]1CCCC[C@@H]1O)C1CN(Cc2cnc(-n3cccn3)c(F)c2)c2ccccc2O1.O=C(N[C@H]1CCCC[C@@H]1O)C1CN(Cc2ncc(-n3cccn3)cn2)c2ccccc2O1
InChIInChI=1S/C24H26FN5O3.3C24H27N5O3.C23H26N6O3/c25-17-12-16(13-26-23(17)30-11-5-10-27-30)14-29-15-22(33-21-9-4-2-7-19(21)29)24(32)28-18-6-1-3-8-20(18)31;30-21-8-3-1-6-19(21)27-24(31)23-16-28(20-7-2-4-9-22(20)32-23)15-17-10-11-18(14-25-17)29-13-5-12-26-29;30-21-7-3-1-5-19(21)26-24(31)23-16-28(20-6-2-4-8-22(20)32-23)15-17-9-11-18(12-10-17)29-14-13-25-27-29;30-21-7-3-1-5-19(21)27-24(31)23-16-28(20-6-2-4-8-22(20)32-23)15-17-9-11-18(12-10-17)29-25-13-14-26-29;30-19-8-3-1-6-17(19)27-23(31)21-14-28(18-7-2-4-9-20(18)32-21)15-22-24-12-16(13-25-22)29-11-5-10-26-29/h2,4-5,7,9-13,18,20,22,31H,1,3,6,8,14-15H2,(H,28,32);2,4-5,7,9-14,19,21,23,30H,1,3,6,8,15-16H2,(H,27,31);2,4,6,8-14,19,21,23,30H,1,3,5,7,15-16H2,(H,26,31);2,4,6,8-14,19,21,23,30H,1,3,5,7,15-16H2,(H,27,31);2,4-5,7,9-13,17,19,21,30H,1,3,6,8,14-15H2,(H,27,31)/t18-,20-,22?;3*19-,21-,23?;17-,19-,21?/m00000/s1
InChIKeyKZZNUWRFMUERSE-PTKUFUOBSA-N
XLogP11.81
TPSA475.44 Ų
H-Bond Donors10
H-Bond Acceptors36
Rotatable Bonds25
Heavy Atoms161
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002186.54
LogP ≤ 511.81
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1036

Analyze 4-[(5-fluoro-6-pyrazol-1-yl-3-pyridinyl)methyl]-N-[(1S,2S)-2-hydroxycyclohexyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide;N-[(1S,2S)-2-hydroxycyclohexyl]-4-[(5-pyrazol-1-yl-2-pyridinyl)methyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide;N-[(1S,2S)-2-hydroxycyclohexyl]-4-[(5-pyrazol-1-ylpyrimidin-2-yl)methyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide;N-[(1S,2S)-2-hydroxycyclohexyl]-4-[[4-(triazol-1-yl)phenyl]methyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide;N-[(1S,2S)-2-hydroxycyclohexyl]-4-[[4-(triazol-2-yl)phenyl]methyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide with MolForge

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Related Compounds

4-[[4-[4-[2-[[4-[(4-pyrazol-1-ylphenyl)methyl]-2,3-dihydro-1,4-benzoxazine-2-carbonyl]amino]pyrimidin-4-yl]pyrazol-1-yl]phenyl]methyl]-N-[5-(trifluoromethyl)pyridin-2-yl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide
CID 126494666
2-[3-[6-[4-[2-[3-[6-[2-[[2-[3-[5-fluoro-4-(1H-indazol-5-ylamino)pyrrolo[2,1-f][1,2,4]triazin-2-yl]phenoxy]acetyl]amino]propyl]-4-(1H-indazol-5-ylamino)pyrrolo[2,1-f][1,2,4]triazin-2-yl]phenoxy]acetyl]morpholin-2-yl]-4-[4-(1H-pyrazol-4-yl)anilino]pyrrolo[2,1-f][1,2,4]triazin-2-yl]phenoxy]-N-propan-2-ylacetamide
CID 155227879
2-[4-(Hydroxymethyl)phenoxy]-1-[3-[methyl-[4-(trifluoromethyl)pyridazin-3-yl]amino]pyrrolidin-1-yl]ethanone;2-[4-(hydroxymethyl)phenoxy]-1-[3-[methyl-[3-(trifluoromethyl)-2-pyridinyl]amino]pyrrolidin-1-yl]ethanone;2-[4-(hydroxymethyl)phenoxy]-1-[3-[methyl-[4-(trifluoromethyl)-3-pyridinyl]amino]pyrrolidin-1-yl]ethanone;2-[4-(hydroxymethyl)phenoxy]-1-[3-[[4-(trifluoromethyl)pyridazin-3-yl]methyl]pyrrolidin-1-yl]ethanone;2-[4-(hydroxymethyl)phenoxy]-1-[3-[[3-(trifluoromethyl)-2-pyridinyl]methyl]pyrrolidin-1-yl]ethanone;2-[4-(hydroxymethyl)phenoxy]-1-[3-[[4-(trifluoromethyl)-3-pyridinyl]methyl]pyrrolidin-1-yl]ethanone
CID 157281704
CID 158929776
CID 158929776
(2R,3R)-4-(2-amino-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)-2,3-dihydroxy-4-oxo-N-[(1R)-1-(4-pyrazol-1-ylphenyl)ethyl]butanamide;(2R,3R)-4-(1,3-dihydropyrrolo[3,4-c]pyridin-2-yl)-2,3-dihydroxy-2-methyl-4-oxo-N-[(1R)-1-(4-pyrazol-1-ylphenyl)ethyl]butanamide;(2R,3R)-4-(1,3-dihydropyrrolo[3,4-c]pyridin-2-yl)-2,3-dihydroxy-4-oxo-N-[[1-[2-(trifluoromethoxy)phenyl]piperidin-4-yl]methyl]butanamide;(2R,3R)-4-(1,3-dihydropyrrolo[3,4-c]pyridin-2-yl)-N-[[4-(2-ethoxy-4-fluorophenyl)phenyl]methyl]-2,3-dihydroxy-4-oxobutanamide;(2R,3R)-4-(5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)-2,3-dihydroxy-4-oxo-N-[(1R)-1-(4-pyrazol-1-ylphenyl)ethyl]butanamide;(2R,3R)-2,3-dihydroxy-4-[2-(methylamino)-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl]-4-oxo-N-[(1R)-1-(4-pyrazol-1-ylphenyl)ethyl]butanamide
CID 159275224
(2R,3R)-N-[(1R)-1-(3-but-2-ynoxy-4-pyrazol-1-ylphenyl)ethyl]-4-(5,7-dihydropyrrolo[3,4-b]pyridin-6-yl)-2,3-dihydroxy-4-oxobutanamide;(2R,3R)-4-(5,7-dihydropyrrolo[3,4-b]pyridin-6-yl)-2,3-dihydroxy-N-[(1R)-1-(3-methoxy-4-pyrazol-1-ylphenyl)ethyl]-2-methyl-4-oxobutanamide;(2R,3R)-4-(5,7-dihydropyrrolo[3,4-b]pyridin-6-yl)-2,3-dihydroxy-2-methyl-4-oxo-N-[(1R)-1-(3-phenylmethoxy-4-pyrazol-1-ylphenyl)ethyl]butanamide;(2R,3R)-4-(5,7-dihydropyrrolo[3,4-b]pyridin-6-yl)-2,3-dihydroxy-4-oxo-N-[(1R)-1-(3-phenylmethoxy-4-pyrazol-1-ylphenyl)ethyl]butanamide;(2R,3R)-2,3-dihydroxy-4-oxo-4-[(2R)-2-phenylpyrrolidin-1-yl]-N-[[4-[2-(trifluoromethyl)benzimidazol-1-yl]cyclohexyl]methyl]butanamide
CID 159541167
1-[3-[ethyl-[4-(trifluoromethyl)pyridazin-3-yl]amino]pyrrolidin-1-yl]-2-[4-(hydroxymethyl)phenoxy]ethanone;1-[3-[ethyl-[3-(trifluoromethyl)-2-pyridinyl]amino]pyrrolidin-1-yl]-2-[4-(hydroxymethyl)phenoxy]ethanone;1-[3-[ethyl-[4-(trifluoromethyl)-3-pyridinyl]amino]pyrrolidin-1-yl]-2-[4-(hydroxymethyl)phenoxy]ethanone;N-[1-[2-[4-(hydroxymethyl)phenoxy]acetyl]pyrrolidin-3-yl]-N-[4-(trifluoromethyl)pyridazin-3-yl]acetamide;N-[1-[2-[4-(hydroxymethyl)phenoxy]acetyl]pyrrolidin-3-yl]-N-[3-(trifluoromethyl)-2-pyridinyl]acetamide;N-[1-[2-[4-(hydroxymethyl)phenoxy]acetyl]pyrrolidin-3-yl]-N-[4-(trifluoromethyl)-3-pyridinyl]acetamide
CID 159854451
CID 160077718
CID 160077718
N-cyclopropyl-4-[(4-pyrazol-1-ylphenyl)methyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide;N-[2-(4-methoxyphenoxy)ethyl]-4-[(4-pyrazol-1-ylphenyl)methyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide;N-(2-methylbutan-2-yl)-4-[(4-pyrazol-1-ylphenyl)methyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide;4-[(4-pyrazol-1-ylphenyl)methyl]-N-pyridin-2-yl-2,3-dihydro-1,4-benzoxazine-2-carboxamide;4-[(4-pyrazol-1-ylphenyl)methyl]-N-(2,2,2-trifluoroethyl)-2,3-dihydro-1,4-benzoxazine-2-carboxamide
CID 161582020
(2R,3R)-4-(5,7-dihydropyrrolo[3,4-b]pyridin-6-yl)-2,3-dihydroxy-N-[(1R)-1-(3-methoxy-4-pyrazol-1-ylphenyl)ethyl]-2-methyl-4-oxobutanamide;bis((2R,3R)-2,3-dihydroxy-4-oxo-4-[(2R)-2-phenylpyrrolidin-1-yl]-N-[[4-[2-(trifluoromethyl)benzimidazol-1-yl]cyclohexyl]methyl]butanamide);(2R,3R)-2,3-dihydroxy-4-oxo-4-pyrrolidin-1-yl-N-[[5-[2-(trifluoromethoxy)phenyl]-2-pyridinyl]methyl]butanamide;(2R,3R)-N-[[5-(2-ethoxy-4-fluorophenyl)-2-pyridinyl]methyl]-2,3-dihydroxy-4-oxo-4-pyrrolidin-1-ylbutanamide
CID 161754536
3-[1-(2-isocyanopropan-2-yl)pyrazol-4-yl]-N-methyl-1-[4-(3-methylpyrazin-2-yl)oxycyclohexyl]pyrazolo[4,3-c]pyridin-6-amine;2-methyl-2-[4-[6-(methylamino)-1-[4-(3-methylpyrazin-2-yl)oxycyclohexyl]pyrazolo[4,3-c]pyridin-3-yl]pyrazol-1-yl]propan-1-ol;1-methyl-4-[6-(methylamino)-1-[4-[[2-(trifluoromethyl)-3-pyridinyl]oxy]cyclohexyl]pyrazolo[4,3-c]pyridin-3-yl]pyridin-2-one;N-methyl-3-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-1-[4-(3-methylpyrazin-2-yl)oxycyclohexyl]pyrazolo[4,3-c]pyridin-6-amine;N-methyl-1-[4-(3-methylpyrazin-2-yl)oxycyclohexyl]-3-[1-(oxan-4-ylmethyl)pyrazol-4-yl]pyrazolo[4,3-c]pyridin-6-amine
CID 163413119
3-(2-ethoxypyrimidin-5-yl)-N-ethyl-1-[4-[(3-fluoro-4-methyl-2-pyridinyl)oxy]cyclohexyl]pyrazolo[4,3-c]pyridin-6-amine;2-[4-[6-(ethylamino)-1-[4-[(3-fluoro-4-methyl-2-pyridinyl)oxy]cyclohexyl]pyrazolo[4,3-c]pyridin-3-yl]pyrazol-1-yl]acetamide;(2R)-1-[4-[6-(ethylamino)-1-[4-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]oxycyclohexyl]pyrazolo[4,3-c]pyridin-3-yl]pyrazol-1-yl]-3-methylbutane-2,3-diol;N-ethyl-3-(2-ethylpyrimidin-5-yl)-1-[4-[(3-fluoro-4-methyl-2-pyridinyl)oxy]cyclohexyl]pyrazolo[4,3-c]pyridin-6-amine;N-ethyl-1-[4-[(3-fluoro-4-methyl-2-pyridinyl)oxy]cyclohexyl]-3-[2-(propan-2-ylamino)pyrimidin-5-yl]pyrazolo[4,3-c]pyridin-6-amine
CID 163797554

Frequently Asked Questions

What is the IUPAC name of 4-[(5-fluoro-6-pyrazol-1-yl-3-pyridinyl)methyl]-N-[(1S,2S)-2-hydroxycyclohexyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide;N-[(1S,2S)-2-hydroxycyclohexyl]-4-[(5-pyrazol-1-yl-2-pyridinyl)methyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide;N-[(1S,2S)-2-hydroxycyclohexyl]-4-[(5-pyrazol-1-ylpyrimidin-2-yl)methyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide;N-[(1S,2S)-2-hydroxycyclohexyl]-4-[[4-(triazol-1-yl)phenyl]methyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide;N-[(1S,2S)-2-hydroxycyclohexyl]-4-[[4-(triazol-2-yl)phenyl]methyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide?
The IUPAC name of 4-[(5-fluoro-6-pyrazol-1-yl-3-pyridinyl)methyl]-N-[(1S,2S)-2-hydroxycyclohexyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide;N-[(1S,2S)-2-hydroxycyclohexyl]-4-[(5-pyrazol-1-yl-2-pyridinyl)methyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide;N-[(1S,2S)-2-hydroxycyclohexyl]-4-[(5-pyrazol-1-ylpyrimidin-2-yl)methyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide;N-[(1S,2S)-2-hydroxycyclohexyl]-4-[[4-(triazol-1-yl)phenyl]methyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide;N-[(1S,2S)-2-hydroxycyclohexyl]-4-[[4-(triazol-2-yl)phenyl]methyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide (CID 159290033) is 4-[(5-fluoro-6-pyrazol-1-yl-3-pyridinyl)methyl]-N-[(1S,2S)-2-hydroxycyclohexyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide;N-[(1S,2S)-2-hydroxycyclohexyl]-4-[(5-pyrazol-1-yl-2-pyridinyl)methyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide;N-[(1S,2S)-2-hydroxycyclohexyl]-4-[(5-pyrazol-1-ylpyrimidin-2-yl)methyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide;N-[(1S,2S)-2-hydroxycyclohexyl]-4-[[4-(triazol-1-yl)phenyl]methyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide;N-[(1S,2S)-2-hydroxycyclohexyl]-4-[[4-(triazol-2-yl)phenyl]methyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide.
What is the SMILES notation for 4-[(5-fluoro-6-pyrazol-1-yl-3-pyridinyl)methyl]-N-[(1S,2S)-2-hydroxycyclohexyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide;N-[(1S,2S)-2-hydroxycyclohexyl]-4-[(5-pyrazol-1-yl-2-pyridinyl)methyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide;N-[(1S,2S)-2-hydroxycyclohexyl]-4-[(5-pyrazol-1-ylpyrimidin-2-yl)methyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide;N-[(1S,2S)-2-hydroxycyclohexyl]-4-[[4-(triazol-1-yl)phenyl]methyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide;N-[(1S,2S)-2-hydroxycyclohexyl]-4-[[4-(triazol-2-yl)phenyl]methyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide?
The canonical SMILES for 4-[(5-fluoro-6-pyrazol-1-yl-3-pyridinyl)methyl]-N-[(1S,2S)-2-hydroxycyclohexyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide;N-[(1S,2S)-2-hydroxycyclohexyl]-4-[(5-pyrazol-1-yl-2-pyridinyl)methyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide;N-[(1S,2S)-2-hydroxycyclohexyl]-4-[(5-pyrazol-1-ylpyrimidin-2-yl)methyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide;N-[(1S,2S)-2-hydroxycyclohexyl]-4-[[4-(triazol-1-yl)phenyl]methyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide;N-[(1S,2S)-2-hydroxycyclohexyl]-4-[[4-(triazol-2-yl)phenyl]methyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide is O=C(N[C@H]1CCCC[C@@H]1O)C1CN(Cc2ccc(-n3cccn3)cn2)c2ccccc2O1.O=C(N[C@H]1CCCC[C@@H]1O)C1CN(Cc2ccc(-n3ccnn3)cc2)c2ccccc2O1.O=C(N[C@H]1CCCC[C@@H]1O)C1CN(Cc2ccc(-n3nccn3)cc2)c2ccccc2O1.O=C(N[C@H]1CCCC[C@@H]1O)C1CN(Cc2cnc(-n3cccn3)c(F)c2)c2ccccc2O1.O=C(N[C@H]1CCCC[C@@H]1O)C1CN(Cc2ncc(-n3cccn3)cn2)c2ccccc2O1.
What is the InChIKey of 4-[(5-fluoro-6-pyrazol-1-yl-3-pyridinyl)methyl]-N-[(1S,2S)-2-hydroxycyclohexyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide;N-[(1S,2S)-2-hydroxycyclohexyl]-4-[(5-pyrazol-1-yl-2-pyridinyl)methyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide;N-[(1S,2S)-2-hydroxycyclohexyl]-4-[(5-pyrazol-1-ylpyrimidin-2-yl)methyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide;N-[(1S,2S)-2-hydroxycyclohexyl]-4-[[4-(triazol-1-yl)phenyl]methyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide;N-[(1S,2S)-2-hydroxycyclohexyl]-4-[[4-(triazol-2-yl)phenyl]methyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide?
The InChIKey is KZZNUWRFMUERSE-PTKUFUOBSA-N. The full InChI is InChI=1S/C24H26FN5O3.3C24H27N5O3.C23H26N6O3/c25-17-12-16(13-26-23(17)30-11-5-10-27-30)14-29-15-22(33-21-9-4-2-7-19(21)29)24(32)28-18-6-1-3-8-20(18)31;30-21-8-3-1-6-19(21)27-24(31)23-16-28(20-7-2-4-9-22(20)32-23)15-17-10-11-18(14-25-17)29-13-5-12-26-29;30-21-7-3-1-5-19(21)26-24(31)23-16-28(20-6-2-4-8-22(20)32-23)15-17-9-11-18(12-10-17)29-14-13-25-27-29;30-21-7-3-1-5-19(21)27-24(31)23-16-28(20-6-2-4-8-22(20)32-23)15-17-9-11-18(12-10-17)29-25-13-14-26-29;30-19-8-3-1-6-17(19)27-23(31)21-14-28(18-7-2-4-9-20(18)32-21)15-22-24-12-16(13-25-22)29-11-5-10-26-29/h2,4-5,7,9-13,18,20,22,31H,1,3,6,8,14-15H2,(H,28,32);2,4-5,7,9-14,19,21,23,30H,1,3,6,8,15-16H2,(H,27,31);2,4,6,8-14,19,21,23,30H,1,3,5,7,15-16H2,(H,26,31);2,4,6,8-14,19,21,23,30H,1,3,5,7,15-16H2,(H,27,31);2,4-5,7,9-13,17,19,21,30H,1,3,6,8,14-15H2,(H,27,31)/t18-,20-,22?;3*19-,21-,23?;17-,19-,21?/m00000/s1.
What are the key properties of 4-[(5-fluoro-6-pyrazol-1-yl-3-pyridinyl)methyl]-N-[(1S,2S)-2-hydroxycyclohexyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide;N-[(1S,2S)-2-hydroxycyclohexyl]-4-[(5-pyrazol-1-yl-2-pyridinyl)methyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide;N-[(1S,2S)-2-hydroxycyclohexyl]-4-[(5-pyrazol-1-ylpyrimidin-2-yl)methyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide;N-[(1S,2S)-2-hydroxycyclohexyl]-4-[[4-(triazol-1-yl)phenyl]methyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide;N-[(1S,2S)-2-hydroxycyclohexyl]-4-[[4-(triazol-2-yl)phenyl]methyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide?
4-[(5-fluoro-6-pyrazol-1-yl-3-pyridinyl)methyl]-N-[(1S,2S)-2-hydroxycyclohexyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide;N-[(1S,2S)-2-hydroxycyclohexyl]-4-[(5-pyrazol-1-yl-2-pyridinyl)methyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide;N-[(1S,2S)-2-hydroxycyclohexyl]-4-[(5-pyrazol-1-ylpyrimidin-2-yl)methyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide;N-[(1S,2S)-2-hydroxycyclohexyl]-4-[[4-(triazol-1-yl)phenyl]methyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide;N-[(1S,2S)-2-hydroxycyclohexyl]-4-[[4-(triazol-2-yl)phenyl]methyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide has a molecular weight of 2186.54 g/mol, XLogP of 11.81, 25 rotatable bonds, 10 hydrogen bond donors, and 36 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-fluoro-6-pyrazol-1-yl-3-pyridinyl)methyl]-N-[(1S,2S)-2-hydroxycyclohexyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide;N-[(1S,2S)-2-hydroxycyclohexyl]-4-[(5-pyrazol-1-yl-2-pyridinyl)methyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide;N-[(1S,2S)-2-hydroxycyclohexyl]-4-[(5-pyrazol-1-ylpyrimidin-2-yl)methyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide;N-[(1S,2S)-2-hydroxycyclohexyl]-4-[[4-(triazol-1-yl)phenyl]methyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide;N-[(1S,2S)-2-hydroxycyclohexyl]-4-[[4-(triazol-2-yl)phenyl]methyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide is sourced from PubChem (CID 159290033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).