cyclopropylmethyl 9-[6-(2-chloro-4-cyanoanilino)-5-fluoropyrimidin-4-yl]oxy-3-oxa-7-azabicyclo[3.3.1]nonane-7-carboxylate;(1-methylcyclopropyl) 9-[6-(4-chloro-2-cyano-3-methylanilino)-5-fluoropyrimidin-4-yl]oxy-3-oxa-7-azabicyclo[3.3.1]nonane-7-carboxylate;(1-methylcyclopropyl) 9-[6-(2-chloro-6-fluorophenoxy)-5-methoxypyrimidin-4-yl]oxy-3-oxa-7-azabicyclo[3.3.1]nonane-7-carboxylate;(1-methylcyclopropyl) 9-[6-(2-cyano-4-fluoro-3-methylanilino)-5-fluoropyrimidin-4-yl]oxy-3-oxa-7-azabicyclo[3.3.1]nonane-7-carboxylate;(1-methylcyclopropyl) 9-[5-fluoro-6-(2-fluoro-4-methylsulfonylphenoxy)pyrimidin-4-yl]oxy-3-oxa-7-azabicyclo[3.3.1]nonane-7-carboxylate

C117H123Cl3F7N21O25S — CID 158822295

IUPACcyclopropylmethyl 9-[6-(2-chloro-4-cyanoanilino)-5-fluoropyrimidin-4-yl]oxy-3-oxa-7-azabicyclo[3.3.1]nonane-7-carboxylate;(1-methylcyclopropyl) 9-[6-(4-chloro-2-cyano-3-methylanilino)-5-fluoropyrimidin-4-yl]oxy-3-oxa-7-azabicyclo[3.3.1]nonane-7-carboxylate;(1-methylcyclopropyl) 9-[6-(2-chloro-6-fluorophenoxy)-5-methoxypyrimidin-4-yl]oxy-3-oxa-7-azabicyclo[3.3.1]nonane-7-carboxylate;(1-methylcyclopropyl) 9-[6-(2-cyano-4-fluoro-3-methylanilino)-5-fluoropyrimidin-4-yl]oxy-3-oxa-7-azabicyclo[3.3.1]nonane-7-carboxylate;(1-methylcyclopropyl) 9-[5-fluoro-6-(2-fluoro-4-methylsulfonylphenoxy)pyrimidin-4-yl]oxy-3-oxa-7-azabicyclo[3.3.1]nonane-7-carboxylate
SMILESCC1(OC(=O)N2CC3COCC(C2)C3Oc2ncnc(Oc3ccc(S(C)(=O)=O)cc3F)c2F)CC1.COc1c(Oc2c(F)cccc2Cl)ncnc1OC1C2COCC1CN(C(=O)OC1(C)CC1)C2.Cc1c(Cl)ccc(Nc2ncnc(OC3C4COCC3CN(C(=O)OC3(C)CC3)C4)c2F)c1C#N.Cc1c(F)ccc(Nc2ncnc(OC3C4COCC3CN(C(=O)OC3(C)CC3)C4)c2F)c1C#N.N#Cc1ccc(Nc2ncnc(OC3C4COCC3CN(C(=O)OCC3CC3)C4)c2F)c(Cl)c1
InChIInChI=1S/C24H25ClFN5O4.C24H25F2N5O4.C23H23ClFN5O4.C23H25ClFN3O6.C23H25F2N3O7S/c2*1-13-16(7-27)18(4-3-17(13)25)30-21-19(26)22(29-12-28-21)34-20-14-8-31(9-15(20)11-33-10-14)23(32)35-24(2)5-6-24;24-17-5-14(6-26)3-4-18(17)29-21-19(25)22(28-12-27-21)34-20-15-7-30(8-16(20)11-32-10-15)23(31)33-9-13-1-2-13;1-23(6-7-23)34-22(29)28-8-13-10-31-11-14(9-28)17(13)32-20-19(30-2)21(27-12-26-20)33-18-15(24)4-3-5-16(18)25;1-23(5-6-23)35-22(29)28-8-13-10-32-11-14(9-28)19(13)34-21-18(25)20(26-12-27-21)33-17-4-3-15(7-16(17)24)36(2,30)31/h2*3-4,12,14-15,20H,5-6,8-11H2,1-2H3,(H,28,29,30);3-5,12-13,15-16,20H,1-2,7-11H2,(H,27,28,29);3-5,12-14,17H,6-11H2,1-2H3;3-4,7,12-14,19H,5-6,8-11H2,1-2H3
InChIKeyIWAGNICVVKKMOS-UHFFFAOYSA-N
MW2494.80 g/mol
LogP18.71
Rot. Bonds28

About cyclopropylmethyl 9-[6-(2-chloro-4-cyanoanilino)-5-fluoropyrimidin-4-yl]oxy-3-oxa-7-azabicyclo[3.3.1]nonane-7-carboxylate;(1-methylcyclopropyl) 9-[6-(4-chloro-2-cyano-3-methylanilino)-5-fluoropyrimidin-4-yl]oxy-3-oxa-7-azabicyclo[3.3.1]nonane-7-carboxylate;(1-methylcyclopropyl) 9-[6-(2-chloro-6-fluorophenoxy)-5-methoxypyrimidin-4-yl]oxy-3-oxa-7-azabicyclo[3.3.1]nonane-7-carboxylate;(1-methylcyclopropyl) 9-[6-(2-cyano-4-fluoro-3-methylanilino)-5-fluoropyrimidin-4-yl]oxy-3-oxa-7-azabicyclo[3.3.1]nonane-7-carboxylate;(1-methylcyclopropyl) 9-[5-fluoro-6-(2-fluoro-4-methylsulfonylphenoxy)pyrimidin-4-yl]oxy-3-oxa-7-azabicyclo[3.3.1]nonane-7-carboxylate

cyclopropylmethyl 9-[6-(2-chloro-4-cyanoanilino)-5-fluoropyrimidin-4-yl]oxy-3-oxa-7-azabicyclo[3.3.1]nonane-7-carboxylate;(1-methylcyclopropyl) 9-[6-(4-chloro-2-cyano-3-methylanilino)-5-fluoropyrimidin-4-yl]oxy-3-oxa-7-azabicyclo[3.3.1]nonane-7-carboxylate;(1-methylcyclopropyl) 9-[6-(2-chloro-6-fluorophenoxy)-5-methoxypyrimidin-4-yl]oxy-3-oxa-7-azabicyclo[3.3.1]nonane-7-carboxylate;(1-methylcyclopropyl) 9-[6-(2-cyano-4-fluoro-3-methylanilino)-5-fluoropyrimidin-4-yl]oxy-3-oxa-7-azabicyclo[3.3.1]nonane-7-carboxylate;(1-methylcyclopropyl) 9-[5-fluoro-6-(2-fluoro-4-methylsulfonylphenoxy)pyrimidin-4-yl]oxy-3-oxa-7-azabicyclo[3.3.1]nonane-7-carboxylate (PubChem CID 158822295) has the molecular formula C117H123Cl3F7N21O25S and a molecular weight of 2494.80 g/mol. Its IUPAC name is cyclopropylmethyl 9-[6-(2-chloro-4-cyanoanilino)-5-fluoropyrimidin-4-yl]oxy-3-oxa-7-azabicyclo[3.3.1]nonane-7-carboxylate;(1-methylcyclopropyl) 9-[6-(4-chloro-2-cyano-3-methylanilino)-5-fluoropyrimidin-4-yl]oxy-3-oxa-7-azabicyclo[3.3.1]nonane-7-carboxylate;(1-methylcyclopropyl) 9-[6-(2-chloro-6-fluorophenoxy)-5-methoxypyrimidin-4-yl]oxy-3-oxa-7-azabicyclo[3.3.1]nonane-7-carboxylate;(1-methylcyclopropyl) 9-[6-(2-cyano-4-fluoro-3-methylanilino)-5-fluoropyrimidin-4-yl]oxy-3-oxa-7-azabicyclo[3.3.1]nonane-7-carboxylate;(1-methylcyclopropyl) 9-[5-fluoro-6-(2-fluoro-4-methylsulfonylphenoxy)pyrimidin-4-yl]oxy-3-oxa-7-azabicyclo[3.3.1]nonane-7-carboxylate.

Molecular Properties

Compound Namecyclopropylmethyl 9-[6-(2-chloro-4-cyanoanilino)-5-fluoropyrimidin-4-yl]oxy-3-oxa-7-azabicyclo[3.3.1]nonane-7-carboxylate;(1-methylcyclopropyl) 9-[6-(4-chloro-2-cyano-3-methylanilino)-5-fluoropyrimidin-4-yl]oxy-3-oxa-7-azabicyclo[3.3.1]nonane-7-carboxylate;(1-methylcyclopropyl) 9-[6-(2-chloro-6-fluorophenoxy)-5-methoxypyrimidin-4-yl]oxy-3-oxa-7-azabicyclo[3.3.1]nonane-7-carboxylate;(1-methylcyclopropyl) 9-[6-(2-cyano-4-fluoro-3-methylanilino)-5-fluoropyrimidin-4-yl]oxy-3-oxa-7-azabicyclo[3.3.1]nonane-7-carboxylate;(1-methylcyclopropyl) 9-[5-fluoro-6-(2-fluoro-4-methylsulfonylphenoxy)pyrimidin-4-yl]oxy-3-oxa-7-azabicyclo[3.3.1]nonane-7-carboxylate
PubChem CID158822295
Molecular FormulaC117H123Cl3F7N21O25S
Molecular Weight2494.80 g/mol
Exact Mass2491.77
IUPAC Namecyclopropylmethyl 9-[6-(2-chloro-4-cyanoanilino)-5-fluoropyrimidin-4-yl]oxy-3-oxa-7-azabicyclo[3.3.1]nonane-7-carboxylate;(1-methylcyclopropyl) 9-[6-(4-chloro-2-cyano-3-methylanilino)-5-fluoropyrimidin-4-yl]oxy-3-oxa-7-azabicyclo[3.3.1]nonane-7-carboxylate;(1-methylcyclopropyl) 9-[6-(2-chloro-6-fluorophenoxy)-5-methoxypyrimidin-4-yl]oxy-3-oxa-7-azabicyclo[3.3.1]nonane-7-carboxylate;(1-methylcyclopropyl) 9-[6-(2-cyano-4-fluoro-3-methylanilino)-5-fluoropyrimidin-4-yl]oxy-3-oxa-7-azabicyclo[3.3.1]nonane-7-carboxylate;(1-methylcyclopropyl) 9-[5-fluoro-6-(2-fluoro-4-methylsulfonylphenoxy)pyrimidin-4-yl]oxy-3-oxa-7-azabicyclo[3.3.1]nonane-7-carboxylate
SMILESCC1(OC(=O)N2CC3COCC(C2)C3Oc2ncnc(Oc3ccc(S(C)(=O)=O)cc3F)c2F)CC1.COc1c(Oc2c(F)cccc2Cl)ncnc1OC1C2COCC1CN(C(=O)OC1(C)CC1)C2.Cc1c(Cl)ccc(Nc2ncnc(OC3C4COCC3CN(C(=O)OC3(C)CC3)C4)c2F)c1C#N.Cc1c(F)ccc(Nc2ncnc(OC3C4COCC3CN(C(=O)OC3(C)CC3)C4)c2F)c1C#N.N#Cc1ccc(Nc2ncnc(OC3C4COCC3CN(C(=O)OCC3CC3)C4)c2F)c(Cl)c1
InChIInChI=1S/C24H25ClFN5O4.C24H25F2N5O4.C23H23ClFN5O4.C23H25ClFN3O6.C23H25F2N3O7S/c2*1-13-16(7-27)18(4-3-17(13)25)30-21-19(26)22(29-12-28-21)34-20-14-8-31(9-15(20)11-33-10-14)23(32)35-24(2)5-6-24;24-17-5-14(6-26)3-4-18(17)29-21-19(25)22(28-12-27-21)34-20-15-7-30(8-16(20)11-32-10-15)23(31)33-9-13-1-2-13;1-23(6-7-23)34-22(29)28-8-13-10-31-11-14(9-28)17(13)32-20-19(30-2)21(27-12-26-20)33-18-15(24)4-3-5-16(18)25;1-23(5-6-23)35-22(29)28-8-13-10-32-11-14(9-28)19(13)34-21-18(25)20(26-12-27-21)33-17-4-3-15(7-16(17)24)36(2,30)31/h2*3-4,12,14-15,20H,5-6,8-11H2,1-2H3,(H,28,29,30);3-5,12-13,15-16,20H,1-2,7-11H2,(H,27,28,29);3-5,12-14,17H,6-11H2,1-2H3;3-4,7,12-14,19H,5-6,8-11H2,1-2H3
InChIKeyIWAGNICVVKKMOS-UHFFFAOYSA-N
XLogP18.71
TPSA538.19 Ų
H-Bond Donors3
H-Bond Acceptors41
Rotatable Bonds28
Heavy Atoms174
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002494.80
LogP ≤ 518.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1041

Computed Properties (RDKit)

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

Analyze cyclopropylmethyl 9-[6-(2-chloro-4-cyanoanilino)-5-fluoropyrimidin-4-yl]oxy-3-oxa-7-azabicyclo[3.3.1]nonane-7-carboxylate;(1-methylcyclopropyl) 9-[6-(4-chloro-2-cyano-3-methylanilino)-5-fluoropyrimidin-4-yl]oxy-3-oxa-7-azabicyclo[3.3.1]nonane-7-carboxylate;(1-methylcyclopropyl) 9-[6-(2-chloro-6-fluorophenoxy)-5-methoxypyrimidin-4-yl]oxy-3-oxa-7-azabicyclo[3.3.1]nonane-7-carboxylate;(1-methylcyclopropyl) 9-[6-(2-cyano-4-fluoro-3-methylanilino)-5-fluoropyrimidin-4-yl]oxy-3-oxa-7-azabicyclo[3.3.1]nonane-7-carboxylate;(1-methylcyclopropyl) 9-[5-fluoro-6-(2-fluoro-4-methylsulfonylphenoxy)pyrimidin-4-yl]oxy-3-oxa-7-azabicyclo[3.3.1]nonane-7-carboxylate with MolForge

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Launch Full Analysis

Related Compounds

3-chloro-5-fluoro-4-[[5-methyl-6-[(2-methylpropan-2-yl)oxy]pyrimidin-4-yl]amino]benzonitrile;4-(2-chloro-4-isocyanophenoxy)-5-fluoro-6-propan-2-yloxypyrimidine;4-(2-chloro-4-isocyanophenoxy)-5-methoxy-6-propan-2-yloxypyrimidine;N-(2-chloro-4-isocyanophenyl)-5-fluoro-6-propan-2-yloxypyrimidin-4-amine;N-(2-chloro-4-isocyanophenyl)-5-methoxy-6-propan-2-yloxypyrimidin-4-amine;5-fluoro-4-(2-fluoro-4-isocyanophenoxy)-6-propan-2-yloxypyrimidine;5-fluoro-N-(2-fluoro-4-isocyanophenyl)-6-propan-2-yloxypyrimidin-4-amine;5-fluoro-4-(2-fluoro-4-methylsulfonylphenoxy)-6-propan-2-yloxypyrimidine;5-fluoro-N-(2-fluoro-4-methylsulfonylphenyl)-6-propan-2-yloxypyrimidin-4-amine;4-(2-fluoro-4-methylsulfonylphenoxy)-5-methoxy-6-propan-2-yloxypyrimidine;N-(2-fluoro-4-methylsulfonylphenyl)-5-methoxy-6-propan-2-yloxypyrimidin-4-amine
CID 157405064
CID 159839202
CID 159839202
3-chloro-5-fluoro-4-[[5-methoxy-6-[(2-methylpropan-2-yl)oxy]pyrimidin-4-yl]amino]benzonitrile;3-chloro-6-[(5-fluoro-6-propan-2-yloxypyrimidin-4-yl)amino]-2-methylbenzonitrile;3-chloro-4-[[5-methoxy-6-[(2-methylpropan-2-yl)oxy]pyrimidin-4-yl]amino]benzonitrile;3-chloro-4-[5-methyl-6-[(2-methylpropan-2-yl)oxy]pyrimidin-4-yl]oxybenzonitrile;3-chloro-4-[[6-[(2-methylpropan-2-yl)oxy]pyrimidin-4-yl]amino]benzonitrile;4-[[5-chloro-6-[(2-methylpropan-2-yl)oxy]pyrimidin-4-yl]amino]-3-fluorobenzonitrile;5-ethoxy-N-(2-fluoro-4-methylsulfonylphenyl)-6-propan-2-yloxypyrimidin-4-amine;3-fluoro-4-[[5-methoxy-6-[(2-methylpropan-2-yl)oxy]pyrimidin-4-yl]amino]benzonitrile;3-fluoro-4-[[6-[(2-methylpropan-2-yl)oxy]pyrimidin-4-yl]amino]benzonitrile
CID 159954094
3-chloro-5-fluoro-4-[[5-methoxy-6-[(2-methylpropan-2-yl)oxy]pyrimidin-4-yl]amino]benzonitrile;3-chloro-4-[[5-methoxy-6-[(2-methylpropan-2-yl)oxy]pyrimidin-4-yl]amino]benzonitrile;3-chloro-4-[5-methyl-6-[(2-methylpropan-2-yl)oxy]pyrimidin-4-yl]oxybenzonitrile;3-chloro-4-[[6-[(2-methylpropan-2-yl)oxy]pyrimidin-4-yl]amino]benzonitrile;4-[[5-chloro-6-[(2-methylpropan-2-yl)oxy]pyrimidin-4-yl]amino]-3-fluorobenzonitrile;5-fluoro-N-(2-fluoro-4-methylsulfonylphenyl)-6-[(2-methylpropan-2-yl)oxy]pyrimidin-4-amine;3-fluoro-4-[[5-methoxy-6-[(2-methylpropan-2-yl)oxy]pyrimidin-4-yl]amino]benzonitrile;3-fluoro-4-[[6-[(2-methylpropan-2-yl)oxy]pyrimidin-4-yl]amino]benzonitrile
CID 161369962

Frequently Asked Questions

What is the IUPAC name of cyclopropylmethyl 9-[6-(2-chloro-4-cyanoanilino)-5-fluoropyrimidin-4-yl]oxy-3-oxa-7-azabicyclo[3.3.1]nonane-7-carboxylate;(1-methylcyclopropyl) 9-[6-(4-chloro-2-cyano-3-methylanilino)-5-fluoropyrimidin-4-yl]oxy-3-oxa-7-azabicyclo[3.3.1]nonane-7-carboxylate;(1-methylcyclopropyl) 9-[6-(2-chloro-6-fluorophenoxy)-5-methoxypyrimidin-4-yl]oxy-3-oxa-7-azabicyclo[3.3.1]nonane-7-carboxylate;(1-methylcyclopropyl) 9-[6-(2-cyano-4-fluoro-3-methylanilino)-5-fluoropyrimidin-4-yl]oxy-3-oxa-7-azabicyclo[3.3.1]nonane-7-carboxylate;(1-methylcyclopropyl) 9-[5-fluoro-6-(2-fluoro-4-methylsulfonylphenoxy)pyrimidin-4-yl]oxy-3-oxa-7-azabicyclo[3.3.1]nonane-7-carboxylate?
The IUPAC name of cyclopropylmethyl 9-[6-(2-chloro-4-cyanoanilino)-5-fluoropyrimidin-4-yl]oxy-3-oxa-7-azabicyclo[3.3.1]nonane-7-carboxylate;(1-methylcyclopropyl) 9-[6-(4-chloro-2-cyano-3-methylanilino)-5-fluoropyrimidin-4-yl]oxy-3-oxa-7-azabicyclo[3.3.1]nonane-7-carboxylate;(1-methylcyclopropyl) 9-[6-(2-chloro-6-fluorophenoxy)-5-methoxypyrimidin-4-yl]oxy-3-oxa-7-azabicyclo[3.3.1]nonane-7-carboxylate;(1-methylcyclopropyl) 9-[6-(2-cyano-4-fluoro-3-methylanilino)-5-fluoropyrimidin-4-yl]oxy-3-oxa-7-azabicyclo[3.3.1]nonane-7-carboxylate;(1-methylcyclopropyl) 9-[5-fluoro-6-(2-fluoro-4-methylsulfonylphenoxy)pyrimidin-4-yl]oxy-3-oxa-7-azabicyclo[3.3.1]nonane-7-carboxylate (CID 158822295) is cyclopropylmethyl 9-[6-(2-chloro-4-cyanoanilino)-5-fluoropyrimidin-4-yl]oxy-3-oxa-7-azabicyclo[3.3.1]nonane-7-carboxylate;(1-methylcyclopropyl) 9-[6-(4-chloro-2-cyano-3-methylanilino)-5-fluoropyrimidin-4-yl]oxy-3-oxa-7-azabicyclo[3.3.1]nonane-7-carboxylate;(1-methylcyclopropyl) 9-[6-(2-chloro-6-fluorophenoxy)-5-methoxypyrimidin-4-yl]oxy-3-oxa-7-azabicyclo[3.3.1]nonane-7-carboxylate;(1-methylcyclopropyl) 9-[6-(2-cyano-4-fluoro-3-methylanilino)-5-fluoropyrimidin-4-yl]oxy-3-oxa-7-azabicyclo[3.3.1]nonane-7-carboxylate;(1-methylcyclopropyl) 9-[5-fluoro-6-(2-fluoro-4-methylsulfonylphenoxy)pyrimidin-4-yl]oxy-3-oxa-7-azabicyclo[3.3.1]nonane-7-carboxylate.
What is the SMILES notation for cyclopropylmethyl 9-[6-(2-chloro-4-cyanoanilino)-5-fluoropyrimidin-4-yl]oxy-3-oxa-7-azabicyclo[3.3.1]nonane-7-carboxylate;(1-methylcyclopropyl) 9-[6-(4-chloro-2-cyano-3-methylanilino)-5-fluoropyrimidin-4-yl]oxy-3-oxa-7-azabicyclo[3.3.1]nonane-7-carboxylate;(1-methylcyclopropyl) 9-[6-(2-chloro-6-fluorophenoxy)-5-methoxypyrimidin-4-yl]oxy-3-oxa-7-azabicyclo[3.3.1]nonane-7-carboxylate;(1-methylcyclopropyl) 9-[6-(2-cyano-4-fluoro-3-methylanilino)-5-fluoropyrimidin-4-yl]oxy-3-oxa-7-azabicyclo[3.3.1]nonane-7-carboxylate;(1-methylcyclopropyl) 9-[5-fluoro-6-(2-fluoro-4-methylsulfonylphenoxy)pyrimidin-4-yl]oxy-3-oxa-7-azabicyclo[3.3.1]nonane-7-carboxylate?
The canonical SMILES for cyclopropylmethyl 9-[6-(2-chloro-4-cyanoanilino)-5-fluoropyrimidin-4-yl]oxy-3-oxa-7-azabicyclo[3.3.1]nonane-7-carboxylate;(1-methylcyclopropyl) 9-[6-(4-chloro-2-cyano-3-methylanilino)-5-fluoropyrimidin-4-yl]oxy-3-oxa-7-azabicyclo[3.3.1]nonane-7-carboxylate;(1-methylcyclopropyl) 9-[6-(2-chloro-6-fluorophenoxy)-5-methoxypyrimidin-4-yl]oxy-3-oxa-7-azabicyclo[3.3.1]nonane-7-carboxylate;(1-methylcyclopropyl) 9-[6-(2-cyano-4-fluoro-3-methylanilino)-5-fluoropyrimidin-4-yl]oxy-3-oxa-7-azabicyclo[3.3.1]nonane-7-carboxylate;(1-methylcyclopropyl) 9-[5-fluoro-6-(2-fluoro-4-methylsulfonylphenoxy)pyrimidin-4-yl]oxy-3-oxa-7-azabicyclo[3.3.1]nonane-7-carboxylate is CC1(OC(=O)N2CC3COCC(C2)C3Oc2ncnc(Oc3ccc(S(C)(=O)=O)cc3F)c2F)CC1.COc1c(Oc2c(F)cccc2Cl)ncnc1OC1C2COCC1CN(C(=O)OC1(C)CC1)C2.Cc1c(Cl)ccc(Nc2ncnc(OC3C4COCC3CN(C(=O)OC3(C)CC3)C4)c2F)c1C#N.Cc1c(F)ccc(Nc2ncnc(OC3C4COCC3CN(C(=O)OC3(C)CC3)C4)c2F)c1C#N.N#Cc1ccc(Nc2ncnc(OC3C4COCC3CN(C(=O)OCC3CC3)C4)c2F)c(Cl)c1.
What is the InChIKey of cyclopropylmethyl 9-[6-(2-chloro-4-cyanoanilino)-5-fluoropyrimidin-4-yl]oxy-3-oxa-7-azabicyclo[3.3.1]nonane-7-carboxylate;(1-methylcyclopropyl) 9-[6-(4-chloro-2-cyano-3-methylanilino)-5-fluoropyrimidin-4-yl]oxy-3-oxa-7-azabicyclo[3.3.1]nonane-7-carboxylate;(1-methylcyclopropyl) 9-[6-(2-chloro-6-fluorophenoxy)-5-methoxypyrimidin-4-yl]oxy-3-oxa-7-azabicyclo[3.3.1]nonane-7-carboxylate;(1-methylcyclopropyl) 9-[6-(2-cyano-4-fluoro-3-methylanilino)-5-fluoropyrimidin-4-yl]oxy-3-oxa-7-azabicyclo[3.3.1]nonane-7-carboxylate;(1-methylcyclopropyl) 9-[5-fluoro-6-(2-fluoro-4-methylsulfonylphenoxy)pyrimidin-4-yl]oxy-3-oxa-7-azabicyclo[3.3.1]nonane-7-carboxylate?
The InChIKey is IWAGNICVVKKMOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25ClFN5O4.C24H25F2N5O4.C23H23ClFN5O4.C23H25ClFN3O6.C23H25F2N3O7S/c2*1-13-16(7-27)18(4-3-17(13)25)30-21-19(26)22(29-12-28-21)34-20-14-8-31(9-15(20)11-33-10-14)23(32)35-24(2)5-6-24;24-17-5-14(6-26)3-4-18(17)29-21-19(25)22(28-12-27-21)34-20-15-7-30(8-16(20)11-32-10-15)23(31)33-9-13-1-2-13;1-23(6-7-23)34-22(29)28-8-13-10-31-11-14(9-28)17(13)32-20-19(30-2)21(27-12-26-20)33-18-15(24)4-3-5-16(18)25;1-23(5-6-23)35-22(29)28-8-13-10-32-11-14(9-28)19(13)34-21-18(25)20(26-12-27-21)33-17-4-3-15(7-16(17)24)36(2,30)31/h2*3-4,12,14-15,20H,5-6,8-11H2,1-2H3,(H,28,29,30);3-5,12-13,15-16,20H,1-2,7-11H2,(H,27,28,29);3-5,12-14,17H,6-11H2,1-2H3;3-4,7,12-14,19H,5-6,8-11H2,1-2H3.
What are the key properties of cyclopropylmethyl 9-[6-(2-chloro-4-cyanoanilino)-5-fluoropyrimidin-4-yl]oxy-3-oxa-7-azabicyclo[3.3.1]nonane-7-carboxylate;(1-methylcyclopropyl) 9-[6-(4-chloro-2-cyano-3-methylanilino)-5-fluoropyrimidin-4-yl]oxy-3-oxa-7-azabicyclo[3.3.1]nonane-7-carboxylate;(1-methylcyclopropyl) 9-[6-(2-chloro-6-fluorophenoxy)-5-methoxypyrimidin-4-yl]oxy-3-oxa-7-azabicyclo[3.3.1]nonane-7-carboxylate;(1-methylcyclopropyl) 9-[6-(2-cyano-4-fluoro-3-methylanilino)-5-fluoropyrimidin-4-yl]oxy-3-oxa-7-azabicyclo[3.3.1]nonane-7-carboxylate;(1-methylcyclopropyl) 9-[5-fluoro-6-(2-fluoro-4-methylsulfonylphenoxy)pyrimidin-4-yl]oxy-3-oxa-7-azabicyclo[3.3.1]nonane-7-carboxylate?
cyclopropylmethyl 9-[6-(2-chloro-4-cyanoanilino)-5-fluoropyrimidin-4-yl]oxy-3-oxa-7-azabicyclo[3.3.1]nonane-7-carboxylate;(1-methylcyclopropyl) 9-[6-(4-chloro-2-cyano-3-methylanilino)-5-fluoropyrimidin-4-yl]oxy-3-oxa-7-azabicyclo[3.3.1]nonane-7-carboxylate;(1-methylcyclopropyl) 9-[6-(2-chloro-6-fluorophenoxy)-5-methoxypyrimidin-4-yl]oxy-3-oxa-7-azabicyclo[3.3.1]nonane-7-carboxylate;(1-methylcyclopropyl) 9-[6-(2-cyano-4-fluoro-3-methylanilino)-5-fluoropyrimidin-4-yl]oxy-3-oxa-7-azabicyclo[3.3.1]nonane-7-carboxylate;(1-methylcyclopropyl) 9-[5-fluoro-6-(2-fluoro-4-methylsulfonylphenoxy)pyrimidin-4-yl]oxy-3-oxa-7-azabicyclo[3.3.1]nonane-7-carboxylate has a molecular weight of 2494.80 g/mol, XLogP of 18.71, 28 rotatable bonds, 3 hydrogen bond donors, and 41 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropylmethyl 9-[6-(2-chloro-4-cyanoanilino)-5-fluoropyrimidin-4-yl]oxy-3-oxa-7-azabicyclo[3.3.1]nonane-7-carboxylate;(1-methylcyclopropyl) 9-[6-(4-chloro-2-cyano-3-methylanilino)-5-fluoropyrimidin-4-yl]oxy-3-oxa-7-azabicyclo[3.3.1]nonane-7-carboxylate;(1-methylcyclopropyl) 9-[6-(2-chloro-6-fluorophenoxy)-5-methoxypyrimidin-4-yl]oxy-3-oxa-7-azabicyclo[3.3.1]nonane-7-carboxylate;(1-methylcyclopropyl) 9-[6-(2-cyano-4-fluoro-3-methylanilino)-5-fluoropyrimidin-4-yl]oxy-3-oxa-7-azabicyclo[3.3.1]nonane-7-carboxylate;(1-methylcyclopropyl) 9-[5-fluoro-6-(2-fluoro-4-methylsulfonylphenoxy)pyrimidin-4-yl]oxy-3-oxa-7-azabicyclo[3.3.1]nonane-7-carboxylate is sourced from PubChem (CID 158822295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).