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

C124H133F6N21O15 — CID 158270470

IUPAC4-[(2,6-difluoro-4-pyrazol-1-ylphenyl)methyl]-N-[(1S,2S)-2-hydroxycyclohexyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide;4-[(3,5-difluoro-4-pyrazol-1-ylphenyl)methyl]-N-[(1S,2S)-2-hydroxycyclohexyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide;4-[(2-fluoro-4-pyrazol-1-ylphenyl)methyl]-N-[(1S,2S)-2-hydroxycyclohexyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide;4-[(3-fluoro-4-pyrazol-1-ylphenyl)methyl]-N-[(1S,2S)-2-hydroxycyclohexyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide;N-[(1S,2S)-2-hydroxycyclohexyl]-4-[(6-pyrazol-1-yl-3-pyridinyl)methyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide
SMILESO=C(N[C@H]1CCCC[C@@H]1O)C1CN(Cc2c(F)cc(-n3cccn3)cc2F)c2ccccc2O1.O=C(N[C@H]1CCCC[C@@H]1O)C1CN(Cc2cc(F)c(-n3cccn3)c(F)c2)c2ccccc2O1.O=C(N[C@H]1CCCC[C@@H]1O)C1CN(Cc2ccc(-n3cccn3)c(F)c2)c2ccccc2O1.O=C(N[C@H]1CCCC[C@@H]1O)C1CN(Cc2ccc(-n3cccn3)cc2F)c2ccccc2O1.O=C(N[C@H]1CCCC[C@@H]1O)C1CN(Cc2ccc(-n3cccn3)nc2)c2ccccc2O1
InChIInChI=1S/2C25H26F2N4O3.2C25H27FN4O3.C24H27N5O3/c26-18-12-16(31-11-5-10-28-31)13-19(27)17(18)14-30-15-24(34-23-9-4-2-7-21(23)30)25(33)29-20-6-1-3-8-22(20)32;26-17-12-16(13-18(27)24(17)31-11-5-10-28-31)14-30-15-23(34-22-9-4-2-7-20(22)30)25(33)29-19-6-1-3-8-21(19)32;26-19-14-18(30-13-5-12-27-30)11-10-17(19)15-29-16-24(33-23-9-4-2-7-21(23)29)25(32)28-20-6-1-3-8-22(20)31;26-18-14-17(10-11-20(18)30-13-5-12-27-30)15-29-16-24(33-23-9-4-2-7-21(23)29)25(32)28-19-6-1-3-8-22(19)31;30-20-8-3-1-6-18(20)27-24(31)22-16-28(19-7-2-4-9-21(19)32-22)15-17-10-11-23(25-14-17)29-13-5-12-26-29/h2,4-5,7,9-13,20,22,24,32H,1,3,6,8,14-15H2,(H,29,33);2,4-5,7,9-13,19,21,23,32H,1,3,6,8,14-15H2,(H,29,33);2,4-5,7,9-14,20,22,24,31H,1,3,6,8,15-16H2,(H,28,32);2,4-5,7,9-14,19,22,24,31H,1,3,6,8,15-16H2,(H,28,32);2,4-5,7,9-14,18,20,22,30H,1,3,6,8,15-16H2,(H,27,31)/t20-,22-,24?;19-,21-,23?;20-,22-,24?;19-,22-,24?;18-,20-,22?/m00000/s1
InChIKeyGIYSSEQASSSAAQ-SPARNSODSA-N
MW2271.55 g/mol
LogP15.53
Rot. Bonds25

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

4-[(2,6-difluoro-4-pyrazol-1-ylphenyl)methyl]-N-[(1S,2S)-2-hydroxycyclohexyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide;4-[(3,5-difluoro-4-pyrazol-1-ylphenyl)methyl]-N-[(1S,2S)-2-hydroxycyclohexyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide;4-[(2-fluoro-4-pyrazol-1-ylphenyl)methyl]-N-[(1S,2S)-2-hydroxycyclohexyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide;4-[(3-fluoro-4-pyrazol-1-ylphenyl)methyl]-N-[(1S,2S)-2-hydroxycyclohexyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide;N-[(1S,2S)-2-hydroxycyclohexyl]-4-[(6-pyrazol-1-yl-3-pyridinyl)methyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide (PubChem CID 158270470) has the molecular formula C124H133F6N21O15 and a molecular weight of 2271.55 g/mol. Its IUPAC name is 4-[(2,6-difluoro-4-pyrazol-1-ylphenyl)methyl]-N-[(1S,2S)-2-hydroxycyclohexyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide;4-[(3,5-difluoro-4-pyrazol-1-ylphenyl)methyl]-N-[(1S,2S)-2-hydroxycyclohexyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide;4-[(2-fluoro-4-pyrazol-1-ylphenyl)methyl]-N-[(1S,2S)-2-hydroxycyclohexyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide;4-[(3-fluoro-4-pyrazol-1-ylphenyl)methyl]-N-[(1S,2S)-2-hydroxycyclohexyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide;N-[(1S,2S)-2-hydroxycyclohexyl]-4-[(6-pyrazol-1-yl-3-pyridinyl)methyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide.

Molecular Properties

Compound Name4-[(2,6-difluoro-4-pyrazol-1-ylphenyl)methyl]-N-[(1S,2S)-2-hydroxycyclohexyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide;4-[(3,5-difluoro-4-pyrazol-1-ylphenyl)methyl]-N-[(1S,2S)-2-hydroxycyclohexyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide;4-[(2-fluoro-4-pyrazol-1-ylphenyl)methyl]-N-[(1S,2S)-2-hydroxycyclohexyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide;4-[(3-fluoro-4-pyrazol-1-ylphenyl)methyl]-N-[(1S,2S)-2-hydroxycyclohexyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide;N-[(1S,2S)-2-hydroxycyclohexyl]-4-[(6-pyrazol-1-yl-3-pyridinyl)methyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide
PubChem CID158270470
Molecular FormulaC124H133F6N21O15
Molecular Weight2271.55 g/mol
Exact Mass2270.02
IUPAC Name4-[(2,6-difluoro-4-pyrazol-1-ylphenyl)methyl]-N-[(1S,2S)-2-hydroxycyclohexyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide;4-[(3,5-difluoro-4-pyrazol-1-ylphenyl)methyl]-N-[(1S,2S)-2-hydroxycyclohexyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide;4-[(2-fluoro-4-pyrazol-1-ylphenyl)methyl]-N-[(1S,2S)-2-hydroxycyclohexyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide;4-[(3-fluoro-4-pyrazol-1-ylphenyl)methyl]-N-[(1S,2S)-2-hydroxycyclohexyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide;N-[(1S,2S)-2-hydroxycyclohexyl]-4-[(6-pyrazol-1-yl-3-pyridinyl)methyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide
SMILESO=C(N[C@H]1CCCC[C@@H]1O)C1CN(Cc2c(F)cc(-n3cccn3)cc2F)c2ccccc2O1.O=C(N[C@H]1CCCC[C@@H]1O)C1CN(Cc2cc(F)c(-n3cccn3)c(F)c2)c2ccccc2O1.O=C(N[C@H]1CCCC[C@@H]1O)C1CN(Cc2ccc(-n3cccn3)c(F)c2)c2ccccc2O1.O=C(N[C@H]1CCCC[C@@H]1O)C1CN(Cc2ccc(-n3cccn3)cc2F)c2ccccc2O1.O=C(N[C@H]1CCCC[C@@H]1O)C1CN(Cc2ccc(-n3cccn3)nc2)c2ccccc2O1
InChIInChI=1S/2C25H26F2N4O3.2C25H27FN4O3.C24H27N5O3/c26-18-12-16(31-11-5-10-28-31)13-19(27)17(18)14-30-15-24(34-23-9-4-2-7-21(23)30)25(33)29-20-6-1-3-8-22(20)32;26-17-12-16(13-18(27)24(17)31-11-5-10-28-31)14-30-15-23(34-22-9-4-2-7-20(22)30)25(33)29-19-6-1-3-8-21(19)32;26-19-14-18(30-13-5-12-27-30)11-10-17(19)15-29-16-24(33-23-9-4-2-7-21(23)29)25(32)28-20-6-1-3-8-22(20)31;26-18-14-17(10-11-20(18)30-13-5-12-27-30)15-29-16-24(33-23-9-4-2-7-21(23)29)25(32)28-19-6-1-3-8-22(19)31;30-20-8-3-1-6-18(20)27-24(31)22-16-28(19-7-2-4-9-21(19)32-22)15-17-10-11-23(25-14-17)29-13-5-12-26-29/h2,4-5,7,9-13,20,22,24,32H,1,3,6,8,14-15H2,(H,29,33);2,4-5,7,9-13,19,21,23,32H,1,3,6,8,14-15H2,(H,29,33);2,4-5,7,9-14,20,22,24,31H,1,3,6,8,15-16H2,(H,28,32);2,4-5,7,9-14,19,22,24,31H,1,3,6,8,15-16H2,(H,28,32);2,4-5,7,9-14,18,20,22,30H,1,3,6,8,15-16H2,(H,27,31)/t20-,22-,24?;19-,21-,23?;20-,22-,24?;19-,22-,24?;18-,20-,22?/m00000/s1
InChIKeyGIYSSEQASSSAAQ-SPARNSODSA-N
XLogP15.53
TPSA410.99 Ų
H-Bond Donors10
H-Bond Acceptors31
Rotatable Bonds25
Heavy Atoms166
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002271.55
LogP ≤ 515.53
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1031

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

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Launch Full Analysis

Related Compounds

4-[(5-fluoro-6-pyrazol-1-yl-3-pyridinyl)methyl]-N-[(1S,2S)-2-hydroxycyclohexyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide
CID 118123957
7-[5-cyano-6-[[4-[(4-pyrazol-1-ylphenyl)methyl]-2,3-dihydro-1,4-benzoxazine-2-carbonyl]amino]pyridin-2-yl]-4-[(4-pyrazol-1-ylphenyl)methyl]-N-[5-(trifluoromethyl)pyridin-2-yl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide
CID 123251907
4-[(5-fluoro-6-pyrazol-1-yl-3-pyridinyl)methyl]-N-(2-hydroxycyclohexyl)-2,3-dihydro-1,4-benzoxazine-2-carboxamide
CID 123706930
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-[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
N-cyclohexyl-4-[(4-pyrazol-1-ylphenyl)methyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide;N-cyclopropyl-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;N-(2-methylpropyl)-4-[(4-pyrazol-1-ylphenyl)methyl]-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 157376945
(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
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
2-[4-[[4-[1-cyclohexyl-3-(trifluoromethyl)pyrazol-5-yl]oxy-2-pyridinyl]amino]-2-pyridinyl]propan-2-ol;2-[4-[[4-[1-cyclopentyl-3-(trifluoromethyl)pyrazol-5-yl]oxy-2-pyridinyl]amino]-2-pyridinyl]propan-2-ol;2-[4-[[4-[1-[(2R,6S)-2,6-dimethyloxan-4-yl]-3-(trifluoromethyl)pyrazol-5-yl]oxy-2-pyridinyl]amino]-2-pyridinyl]propan-2-ol;2-[4-[[4-[1-(4-fluorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]oxy-2-pyridinyl]amino]-2-pyridinyl]propan-2-ol;2-[4-[[4-[1-(4-methylphenyl)-3-(trifluoromethyl)pyrazol-5-yl]oxy-2-pyridinyl]amino]-2-pyridinyl]propan-2-ol
CID 160242325
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
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

Frequently Asked Questions

What is the IUPAC name of 4-[(2,6-difluoro-4-pyrazol-1-ylphenyl)methyl]-N-[(1S,2S)-2-hydroxycyclohexyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide;4-[(3,5-difluoro-4-pyrazol-1-ylphenyl)methyl]-N-[(1S,2S)-2-hydroxycyclohexyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide;4-[(2-fluoro-4-pyrazol-1-ylphenyl)methyl]-N-[(1S,2S)-2-hydroxycyclohexyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide;4-[(3-fluoro-4-pyrazol-1-ylphenyl)methyl]-N-[(1S,2S)-2-hydroxycyclohexyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide;N-[(1S,2S)-2-hydroxycyclohexyl]-4-[(6-pyrazol-1-yl-3-pyridinyl)methyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide?
The IUPAC name of 4-[(2,6-difluoro-4-pyrazol-1-ylphenyl)methyl]-N-[(1S,2S)-2-hydroxycyclohexyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide;4-[(3,5-difluoro-4-pyrazol-1-ylphenyl)methyl]-N-[(1S,2S)-2-hydroxycyclohexyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide;4-[(2-fluoro-4-pyrazol-1-ylphenyl)methyl]-N-[(1S,2S)-2-hydroxycyclohexyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide;4-[(3-fluoro-4-pyrazol-1-ylphenyl)methyl]-N-[(1S,2S)-2-hydroxycyclohexyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide;N-[(1S,2S)-2-hydroxycyclohexyl]-4-[(6-pyrazol-1-yl-3-pyridinyl)methyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide (CID 158270470) is 4-[(2,6-difluoro-4-pyrazol-1-ylphenyl)methyl]-N-[(1S,2S)-2-hydroxycyclohexyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide;4-[(3,5-difluoro-4-pyrazol-1-ylphenyl)methyl]-N-[(1S,2S)-2-hydroxycyclohexyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide;4-[(2-fluoro-4-pyrazol-1-ylphenyl)methyl]-N-[(1S,2S)-2-hydroxycyclohexyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide;4-[(3-fluoro-4-pyrazol-1-ylphenyl)methyl]-N-[(1S,2S)-2-hydroxycyclohexyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide;N-[(1S,2S)-2-hydroxycyclohexyl]-4-[(6-pyrazol-1-yl-3-pyridinyl)methyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide.
What is the SMILES notation for 4-[(2,6-difluoro-4-pyrazol-1-ylphenyl)methyl]-N-[(1S,2S)-2-hydroxycyclohexyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide;4-[(3,5-difluoro-4-pyrazol-1-ylphenyl)methyl]-N-[(1S,2S)-2-hydroxycyclohexyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide;4-[(2-fluoro-4-pyrazol-1-ylphenyl)methyl]-N-[(1S,2S)-2-hydroxycyclohexyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide;4-[(3-fluoro-4-pyrazol-1-ylphenyl)methyl]-N-[(1S,2S)-2-hydroxycyclohexyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide;N-[(1S,2S)-2-hydroxycyclohexyl]-4-[(6-pyrazol-1-yl-3-pyridinyl)methyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide?
The canonical SMILES for 4-[(2,6-difluoro-4-pyrazol-1-ylphenyl)methyl]-N-[(1S,2S)-2-hydroxycyclohexyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide;4-[(3,5-difluoro-4-pyrazol-1-ylphenyl)methyl]-N-[(1S,2S)-2-hydroxycyclohexyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide;4-[(2-fluoro-4-pyrazol-1-ylphenyl)methyl]-N-[(1S,2S)-2-hydroxycyclohexyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide;4-[(3-fluoro-4-pyrazol-1-ylphenyl)methyl]-N-[(1S,2S)-2-hydroxycyclohexyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide;N-[(1S,2S)-2-hydroxycyclohexyl]-4-[(6-pyrazol-1-yl-3-pyridinyl)methyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide is O=C(N[C@H]1CCCC[C@@H]1O)C1CN(Cc2c(F)cc(-n3cccn3)cc2F)c2ccccc2O1.O=C(N[C@H]1CCCC[C@@H]1O)C1CN(Cc2cc(F)c(-n3cccn3)c(F)c2)c2ccccc2O1.O=C(N[C@H]1CCCC[C@@H]1O)C1CN(Cc2ccc(-n3cccn3)c(F)c2)c2ccccc2O1.O=C(N[C@H]1CCCC[C@@H]1O)C1CN(Cc2ccc(-n3cccn3)cc2F)c2ccccc2O1.O=C(N[C@H]1CCCC[C@@H]1O)C1CN(Cc2ccc(-n3cccn3)nc2)c2ccccc2O1.
What is the InChIKey of 4-[(2,6-difluoro-4-pyrazol-1-ylphenyl)methyl]-N-[(1S,2S)-2-hydroxycyclohexyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide;4-[(3,5-difluoro-4-pyrazol-1-ylphenyl)methyl]-N-[(1S,2S)-2-hydroxycyclohexyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide;4-[(2-fluoro-4-pyrazol-1-ylphenyl)methyl]-N-[(1S,2S)-2-hydroxycyclohexyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide;4-[(3-fluoro-4-pyrazol-1-ylphenyl)methyl]-N-[(1S,2S)-2-hydroxycyclohexyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide;N-[(1S,2S)-2-hydroxycyclohexyl]-4-[(6-pyrazol-1-yl-3-pyridinyl)methyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide?
The InChIKey is GIYSSEQASSSAAQ-SPARNSODSA-N. The full InChI is InChI=1S/2C25H26F2N4O3.2C25H27FN4O3.C24H27N5O3/c26-18-12-16(31-11-5-10-28-31)13-19(27)17(18)14-30-15-24(34-23-9-4-2-7-21(23)30)25(33)29-20-6-1-3-8-22(20)32;26-17-12-16(13-18(27)24(17)31-11-5-10-28-31)14-30-15-23(34-22-9-4-2-7-20(22)30)25(33)29-19-6-1-3-8-21(19)32;26-19-14-18(30-13-5-12-27-30)11-10-17(19)15-29-16-24(33-23-9-4-2-7-21(23)29)25(32)28-20-6-1-3-8-22(20)31;26-18-14-17(10-11-20(18)30-13-5-12-27-30)15-29-16-24(33-23-9-4-2-7-21(23)29)25(32)28-19-6-1-3-8-22(19)31;30-20-8-3-1-6-18(20)27-24(31)22-16-28(19-7-2-4-9-21(19)32-22)15-17-10-11-23(25-14-17)29-13-5-12-26-29/h2,4-5,7,9-13,20,22,24,32H,1,3,6,8,14-15H2,(H,29,33);2,4-5,7,9-13,19,21,23,32H,1,3,6,8,14-15H2,(H,29,33);2,4-5,7,9-14,20,22,24,31H,1,3,6,8,15-16H2,(H,28,32);2,4-5,7,9-14,19,22,24,31H,1,3,6,8,15-16H2,(H,28,32);2,4-5,7,9-14,18,20,22,30H,1,3,6,8,15-16H2,(H,27,31)/t20-,22-,24?;19-,21-,23?;20-,22-,24?;19-,22-,24?;18-,20-,22?/m00000/s1.
What are the key properties of 4-[(2,6-difluoro-4-pyrazol-1-ylphenyl)methyl]-N-[(1S,2S)-2-hydroxycyclohexyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide;4-[(3,5-difluoro-4-pyrazol-1-ylphenyl)methyl]-N-[(1S,2S)-2-hydroxycyclohexyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide;4-[(2-fluoro-4-pyrazol-1-ylphenyl)methyl]-N-[(1S,2S)-2-hydroxycyclohexyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide;4-[(3-fluoro-4-pyrazol-1-ylphenyl)methyl]-N-[(1S,2S)-2-hydroxycyclohexyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide;N-[(1S,2S)-2-hydroxycyclohexyl]-4-[(6-pyrazol-1-yl-3-pyridinyl)methyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide?
4-[(2,6-difluoro-4-pyrazol-1-ylphenyl)methyl]-N-[(1S,2S)-2-hydroxycyclohexyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide;4-[(3,5-difluoro-4-pyrazol-1-ylphenyl)methyl]-N-[(1S,2S)-2-hydroxycyclohexyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide;4-[(2-fluoro-4-pyrazol-1-ylphenyl)methyl]-N-[(1S,2S)-2-hydroxycyclohexyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide;4-[(3-fluoro-4-pyrazol-1-ylphenyl)methyl]-N-[(1S,2S)-2-hydroxycyclohexyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide;N-[(1S,2S)-2-hydroxycyclohexyl]-4-[(6-pyrazol-1-yl-3-pyridinyl)methyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide has a molecular weight of 2271.55 g/mol, XLogP of 15.53, 25 rotatable bonds, 10 hydrogen bond donors, and 31 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2,6-difluoro-4-pyrazol-1-ylphenyl)methyl]-N-[(1S,2S)-2-hydroxycyclohexyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide;4-[(3,5-difluoro-4-pyrazol-1-ylphenyl)methyl]-N-[(1S,2S)-2-hydroxycyclohexyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide;4-[(2-fluoro-4-pyrazol-1-ylphenyl)methyl]-N-[(1S,2S)-2-hydroxycyclohexyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide;4-[(3-fluoro-4-pyrazol-1-ylphenyl)methyl]-N-[(1S,2S)-2-hydroxycyclohexyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide;N-[(1S,2S)-2-hydroxycyclohexyl]-4-[(6-pyrazol-1-yl-3-pyridinyl)methyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide is sourced from PubChem (CID 158270470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).