6-chloro-1'-[1-[4-fluoro-3-(trifluoromethyl)phenyl]-5-pyridin-3-ylpyrazole-3-carbonyl]spiro[1H-3,1-benzoxazine-4,4'-piperidine]-2-one;1-[4-(1-fluoroethoxy)phenyl]-8-[1-[4-fluoro-3-(trifluoromethyl)phenyl]-5-pyridin-3-ylpyrazole-3-carbonyl]-1,8-diazaspiro[4.5]decan-4-one;5-fluoro-1'-[1-[4-fluoro-3-(trifluoromethyl)phenyl]-5-pyridin-3-ylpyrazole-3-carbonyl]spiro[1H-3,1-benzoxazine-4,4'-piperidine]-2-one;6-fluoro-1'-[1-[4-fluoro-3-(trifluoromethyl)phenyl]-5-pyridin-3-ylpyrazole-3-carbonyl]spiro[1H-3,1-benzoxazine-4,4'-piperidine]-2-one;1'-[1-[4-fluoro-3-(trifluoromethyl)phenyl]-5-pyridin-3-ylpyrazole-3-carbonyl]spiro[1H-pyrido[2,3-d][1,3]oxazine-4,4'-piperidine]-2-one

C143H108ClF23N26O15 — CID 161396188

IUPAC6-chloro-1'-[1-[4-fluoro-3-(trifluoromethyl)phenyl]-5-pyridin-3-ylpyrazole-3-carbonyl]spiro[1H-3,1-benzoxazine-4,4'-piperidine]-2-one;1-[4-(1-fluoroethoxy)phenyl]-8-[1-[4-fluoro-3-(trifluoromethyl)phenyl]-5-pyridin-3-ylpyrazole-3-carbonyl]-1,8-diazaspiro[4.5]decan-4-one;5-fluoro-1'-[1-[4-fluoro-3-(trifluoromethyl)phenyl]-5-pyridin-3-ylpyrazole-3-carbonyl]spiro[1H-3,1-benzoxazine-4,4'-piperidine]-2-one;6-fluoro-1'-[1-[4-fluoro-3-(trifluoromethyl)phenyl]-5-pyridin-3-ylpyrazole-3-carbonyl]spiro[1H-3,1-benzoxazine-4,4'-piperidine]-2-one;1'-[1-[4-fluoro-3-(trifluoromethyl)phenyl]-5-pyridin-3-ylpyrazole-3-carbonyl]spiro[1H-pyrido[2,3-d][1,3]oxazine-4,4'-piperidine]-2-one
SMILESCC(F)Oc1ccc(N2CCC(=O)C23CCN(C(=O)c2cc(-c4cccnc4)n(-c4ccc(F)c(C(F)(F)F)c4)n2)CC3)cc1.O=C1Nc2ccc(Cl)cc2C2(CCN(C(=O)c3cc(-c4cccnc4)n(-c4ccc(F)c(C(F)(F)F)c4)n3)CC2)O1.O=C1Nc2ccc(F)cc2C2(CCN(C(=O)c3cc(-c4cccnc4)n(-c4ccc(F)c(C(F)(F)F)c4)n3)CC2)O1.O=C1Nc2cccc(F)c2C2(CCN(C(=O)c3cc(-c4cccnc4)n(-c4ccc(F)c(C(F)(F)F)c4)n3)CC2)O1.O=C1Nc2ncccc2C2(CCN(C(=O)c3cc(-c4cccnc4)n(-c4ccc(F)c(C(F)(F)F)c4)n3)CC2)O1
InChIInChI=1S/C32H28F5N5O3.C28H20ClF4N5O3.2C28H20F5N5O3.C27H20F4N6O3/c1-20(33)45-24-7-4-22(5-8-24)41-14-10-29(43)31(41)11-15-40(16-12-31)30(44)27-18-28(21-3-2-13-38-19-21)42(39-27)23-6-9-26(34)25(17-23)32(35,36)37;29-17-3-6-22-20(12-17)27(41-26(40)35-22)7-10-37(11-8-27)25(39)23-14-24(16-2-1-9-34-15-16)38(36-23)18-4-5-21(30)19(13-18)28(31,32)33;29-19-7-6-17(13-18(19)28(31,32)33)38-23(16-3-2-10-34-15-16)14-22(36-38)25(39)37-11-8-27(9-12-37)24-20(30)4-1-5-21(24)35-26(40)41-27;29-17-3-6-22-20(12-17)27(41-26(40)35-22)7-10-37(11-8-27)25(39)23-14-24(16-2-1-9-34-15-16)38(36-23)18-4-5-21(30)19(13-18)28(31,32)33;28-20-6-5-17(13-19(20)27(29,30)31)37-22(16-3-1-9-32-15-16)14-21(35-37)24(38)36-11-7-26(8-12-36)18-4-2-10-33-23(18)34-25(39)40-26/h2-9,13,17-20H,10-12,14-16H2,1H3;1-6,9,12-15H,7-8,10-11H2,(H,35,40);1-7,10,13-15H,8-9,11-12H2,(H,35,40);1-6,9,12-15H,7-8,10-11H2,(H,35,40);1-6,9-10,13-15H,7-8,11-12H2,(H,33,34,39)
InChIKeyVTPYWZVTEBKNMH-UHFFFAOYSA-N
MW2903.01 g/mol
LogP29.71
Rot. Bonds18

About 6-chloro-1'-[1-[4-fluoro-3-(trifluoromethyl)phenyl]-5-pyridin-3-ylpyrazole-3-carbonyl]spiro[1H-3,1-benzoxazine-4,4'-piperidine]-2-one;1-[4-(1-fluoroethoxy)phenyl]-8-[1-[4-fluoro-3-(trifluoromethyl)phenyl]-5-pyridin-3-ylpyrazole-3-carbonyl]-1,8-diazaspiro[4.5]decan-4-one;5-fluoro-1'-[1-[4-fluoro-3-(trifluoromethyl)phenyl]-5-pyridin-3-ylpyrazole-3-carbonyl]spiro[1H-3,1-benzoxazine-4,4'-piperidine]-2-one;6-fluoro-1'-[1-[4-fluoro-3-(trifluoromethyl)phenyl]-5-pyridin-3-ylpyrazole-3-carbonyl]spiro[1H-3,1-benzoxazine-4,4'-piperidine]-2-one;1'-[1-[4-fluoro-3-(trifluoromethyl)phenyl]-5-pyridin-3-ylpyrazole-3-carbonyl]spiro[1H-pyrido[2,3-d][1,3]oxazine-4,4'-piperidine]-2-one

6-chloro-1'-[1-[4-fluoro-3-(trifluoromethyl)phenyl]-5-pyridin-3-ylpyrazole-3-carbonyl]spiro[1H-3,1-benzoxazine-4,4'-piperidine]-2-one;1-[4-(1-fluoroethoxy)phenyl]-8-[1-[4-fluoro-3-(trifluoromethyl)phenyl]-5-pyridin-3-ylpyrazole-3-carbonyl]-1,8-diazaspiro[4.5]decan-4-one;5-fluoro-1'-[1-[4-fluoro-3-(trifluoromethyl)phenyl]-5-pyridin-3-ylpyrazole-3-carbonyl]spiro[1H-3,1-benzoxazine-4,4'-piperidine]-2-one;6-fluoro-1'-[1-[4-fluoro-3-(trifluoromethyl)phenyl]-5-pyridin-3-ylpyrazole-3-carbonyl]spiro[1H-3,1-benzoxazine-4,4'-piperidine]-2-one;1'-[1-[4-fluoro-3-(trifluoromethyl)phenyl]-5-pyridin-3-ylpyrazole-3-carbonyl]spiro[1H-pyrido[2,3-d][1,3]oxazine-4,4'-piperidine]-2-one (PubChem CID 161396188) has the molecular formula C143H108ClF23N26O15 and a molecular weight of 2903.01 g/mol. Its IUPAC name is 6-chloro-1'-[1-[4-fluoro-3-(trifluoromethyl)phenyl]-5-pyridin-3-ylpyrazole-3-carbonyl]spiro[1H-3,1-benzoxazine-4,4'-piperidine]-2-one;1-[4-(1-fluoroethoxy)phenyl]-8-[1-[4-fluoro-3-(trifluoromethyl)phenyl]-5-pyridin-3-ylpyrazole-3-carbonyl]-1,8-diazaspiro[4.5]decan-4-one;5-fluoro-1'-[1-[4-fluoro-3-(trifluoromethyl)phenyl]-5-pyridin-3-ylpyrazole-3-carbonyl]spiro[1H-3,1-benzoxazine-4,4'-piperidine]-2-one;6-fluoro-1'-[1-[4-fluoro-3-(trifluoromethyl)phenyl]-5-pyridin-3-ylpyrazole-3-carbonyl]spiro[1H-3,1-benzoxazine-4,4'-piperidine]-2-one;1'-[1-[4-fluoro-3-(trifluoromethyl)phenyl]-5-pyridin-3-ylpyrazole-3-carbonyl]spiro[1H-pyrido[2,3-d][1,3]oxazine-4,4'-piperidine]-2-one.

Molecular Properties

Compound Name6-chloro-1'-[1-[4-fluoro-3-(trifluoromethyl)phenyl]-5-pyridin-3-ylpyrazole-3-carbonyl]spiro[1H-3,1-benzoxazine-4,4'-piperidine]-2-one;1-[4-(1-fluoroethoxy)phenyl]-8-[1-[4-fluoro-3-(trifluoromethyl)phenyl]-5-pyridin-3-ylpyrazole-3-carbonyl]-1,8-diazaspiro[4.5]decan-4-one;5-fluoro-1'-[1-[4-fluoro-3-(trifluoromethyl)phenyl]-5-pyridin-3-ylpyrazole-3-carbonyl]spiro[1H-3,1-benzoxazine-4,4'-piperidine]-2-one;6-fluoro-1'-[1-[4-fluoro-3-(trifluoromethyl)phenyl]-5-pyridin-3-ylpyrazole-3-carbonyl]spiro[1H-3,1-benzoxazine-4,4'-piperidine]-2-one;1'-[1-[4-fluoro-3-(trifluoromethyl)phenyl]-5-pyridin-3-ylpyrazole-3-carbonyl]spiro[1H-pyrido[2,3-d][1,3]oxazine-4,4'-piperidine]-2-one
PubChem CID161396188
Molecular FormulaC143H108ClF23N26O15
Molecular Weight2903.01 g/mol
Exact Mass2900.78
IUPAC Name6-chloro-1'-[1-[4-fluoro-3-(trifluoromethyl)phenyl]-5-pyridin-3-ylpyrazole-3-carbonyl]spiro[1H-3,1-benzoxazine-4,4'-piperidine]-2-one;1-[4-(1-fluoroethoxy)phenyl]-8-[1-[4-fluoro-3-(trifluoromethyl)phenyl]-5-pyridin-3-ylpyrazole-3-carbonyl]-1,8-diazaspiro[4.5]decan-4-one;5-fluoro-1'-[1-[4-fluoro-3-(trifluoromethyl)phenyl]-5-pyridin-3-ylpyrazole-3-carbonyl]spiro[1H-3,1-benzoxazine-4,4'-piperidine]-2-one;6-fluoro-1'-[1-[4-fluoro-3-(trifluoromethyl)phenyl]-5-pyridin-3-ylpyrazole-3-carbonyl]spiro[1H-3,1-benzoxazine-4,4'-piperidine]-2-one;1'-[1-[4-fluoro-3-(trifluoromethyl)phenyl]-5-pyridin-3-ylpyrazole-3-carbonyl]spiro[1H-pyrido[2,3-d][1,3]oxazine-4,4'-piperidine]-2-one
SMILESCC(F)Oc1ccc(N2CCC(=O)C23CCN(C(=O)c2cc(-c4cccnc4)n(-c4ccc(F)c(C(F)(F)F)c4)n2)CC3)cc1.O=C1Nc2ccc(Cl)cc2C2(CCN(C(=O)c3cc(-c4cccnc4)n(-c4ccc(F)c(C(F)(F)F)c4)n3)CC2)O1.O=C1Nc2ccc(F)cc2C2(CCN(C(=O)c3cc(-c4cccnc4)n(-c4ccc(F)c(C(F)(F)F)c4)n3)CC2)O1.O=C1Nc2cccc(F)c2C2(CCN(C(=O)c3cc(-c4cccnc4)n(-c4ccc(F)c(C(F)(F)F)c4)n3)CC2)O1.O=C1Nc2ncccc2C2(CCN(C(=O)c3cc(-c4cccnc4)n(-c4ccc(F)c(C(F)(F)F)c4)n3)CC2)O1
InChIInChI=1S/C32H28F5N5O3.C28H20ClF4N5O3.2C28H20F5N5O3.C27H20F4N6O3/c1-20(33)45-24-7-4-22(5-8-24)41-14-10-29(43)31(41)11-15-40(16-12-31)30(44)27-18-28(21-3-2-13-38-19-21)42(39-27)23-6-9-26(34)25(17-23)32(35,36)37;29-17-3-6-22-20(12-17)27(41-26(40)35-22)7-10-37(11-8-27)25(39)23-14-24(16-2-1-9-34-15-16)38(36-23)18-4-5-21(30)19(13-18)28(31,32)33;29-19-7-6-17(13-18(19)28(31,32)33)38-23(16-3-2-10-34-15-16)14-22(36-38)25(39)37-11-8-27(9-12-37)24-20(30)4-1-5-21(24)35-26(40)41-27;29-17-3-6-22-20(12-17)27(41-26(40)35-22)7-10-37(11-8-27)25(39)23-14-24(16-2-1-9-34-15-16)38(36-23)18-4-5-21(30)19(13-18)28(31,32)33;28-20-6-5-17(13-19(20)27(29,30)31)37-22(16-3-1-9-32-15-16)14-21(35-37)24(38)36-11-7-26(8-12-36)18-4-2-10-33-23(18)34-25(39)40-26/h2-9,13,17-20H,10-12,14-16H2,1H3;1-6,9,12-15H,7-8,10-11H2,(H,35,40);1-7,10,13-15H,8-9,11-12H2,(H,35,40);1-6,9,12-15H,7-8,10-11H2,(H,35,40);1-6,9-10,13-15H,7-8,11-12H2,(H,33,34,39)
InChIKeyVTPYWZVTEBKNMH-UHFFFAOYSA-N
XLogP29.71
TPSA450.85 Ų
H-Bond Donors4
H-Bond Acceptors32
Rotatable Bonds18
Heavy Atoms208
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002903.01
LogP ≤ 529.71
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1032

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}, {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}

Analyze 6-chloro-1'-[1-[4-fluoro-3-(trifluoromethyl)phenyl]-5-pyridin-3-ylpyrazole-3-carbonyl]spiro[1H-3,1-benzoxazine-4,4'-piperidine]-2-one;1-[4-(1-fluoroethoxy)phenyl]-8-[1-[4-fluoro-3-(trifluoromethyl)phenyl]-5-pyridin-3-ylpyrazole-3-carbonyl]-1,8-diazaspiro[4.5]decan-4-one;5-fluoro-1'-[1-[4-fluoro-3-(trifluoromethyl)phenyl]-5-pyridin-3-ylpyrazole-3-carbonyl]spiro[1H-3,1-benzoxazine-4,4'-piperidine]-2-one;6-fluoro-1'-[1-[4-fluoro-3-(trifluoromethyl)phenyl]-5-pyridin-3-ylpyrazole-3-carbonyl]spiro[1H-3,1-benzoxazine-4,4'-piperidine]-2-one;1'-[1-[4-fluoro-3-(trifluoromethyl)phenyl]-5-pyridin-3-ylpyrazole-3-carbonyl]spiro[1H-pyrido[2,3-d][1,3]oxazine-4,4'-piperidine]-2-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-1'-[1-[4-fluoro-3-(trifluoromethyl)phenyl]-5-pyridin-3-ylpyrazole-3-carbonyl]spiro[1H-3,1-benzoxazine-4,4'-piperidine]-2-one;1-[4-(1-fluoroethoxy)phenyl]-8-[1-[4-fluoro-3-(trifluoromethyl)phenyl]-5-pyridin-3-ylpyrazole-3-carbonyl]-1,8-diazaspiro[4.5]decan-4-one;5-fluoro-1'-[1-[4-fluoro-3-(trifluoromethyl)phenyl]-5-pyridin-3-ylpyrazole-3-carbonyl]spiro[1H-3,1-benzoxazine-4,4'-piperidine]-2-one;6-fluoro-1'-[1-[4-fluoro-3-(trifluoromethyl)phenyl]-5-pyridin-3-ylpyrazole-3-carbonyl]spiro[1H-3,1-benzoxazine-4,4'-piperidine]-2-one;1'-[1-[4-fluoro-3-(trifluoromethyl)phenyl]-5-pyridin-3-ylpyrazole-3-carbonyl]spiro[1H-pyrido[2,3-d][1,3]oxazine-4,4'-piperidine]-2-one?
The IUPAC name of 6-chloro-1'-[1-[4-fluoro-3-(trifluoromethyl)phenyl]-5-pyridin-3-ylpyrazole-3-carbonyl]spiro[1H-3,1-benzoxazine-4,4'-piperidine]-2-one;1-[4-(1-fluoroethoxy)phenyl]-8-[1-[4-fluoro-3-(trifluoromethyl)phenyl]-5-pyridin-3-ylpyrazole-3-carbonyl]-1,8-diazaspiro[4.5]decan-4-one;5-fluoro-1'-[1-[4-fluoro-3-(trifluoromethyl)phenyl]-5-pyridin-3-ylpyrazole-3-carbonyl]spiro[1H-3,1-benzoxazine-4,4'-piperidine]-2-one;6-fluoro-1'-[1-[4-fluoro-3-(trifluoromethyl)phenyl]-5-pyridin-3-ylpyrazole-3-carbonyl]spiro[1H-3,1-benzoxazine-4,4'-piperidine]-2-one;1'-[1-[4-fluoro-3-(trifluoromethyl)phenyl]-5-pyridin-3-ylpyrazole-3-carbonyl]spiro[1H-pyrido[2,3-d][1,3]oxazine-4,4'-piperidine]-2-one (CID 161396188) is 6-chloro-1'-[1-[4-fluoro-3-(trifluoromethyl)phenyl]-5-pyridin-3-ylpyrazole-3-carbonyl]spiro[1H-3,1-benzoxazine-4,4'-piperidine]-2-one;1-[4-(1-fluoroethoxy)phenyl]-8-[1-[4-fluoro-3-(trifluoromethyl)phenyl]-5-pyridin-3-ylpyrazole-3-carbonyl]-1,8-diazaspiro[4.5]decan-4-one;5-fluoro-1'-[1-[4-fluoro-3-(trifluoromethyl)phenyl]-5-pyridin-3-ylpyrazole-3-carbonyl]spiro[1H-3,1-benzoxazine-4,4'-piperidine]-2-one;6-fluoro-1'-[1-[4-fluoro-3-(trifluoromethyl)phenyl]-5-pyridin-3-ylpyrazole-3-carbonyl]spiro[1H-3,1-benzoxazine-4,4'-piperidine]-2-one;1'-[1-[4-fluoro-3-(trifluoromethyl)phenyl]-5-pyridin-3-ylpyrazole-3-carbonyl]spiro[1H-pyrido[2,3-d][1,3]oxazine-4,4'-piperidine]-2-one.
What is the SMILES notation for 6-chloro-1'-[1-[4-fluoro-3-(trifluoromethyl)phenyl]-5-pyridin-3-ylpyrazole-3-carbonyl]spiro[1H-3,1-benzoxazine-4,4'-piperidine]-2-one;1-[4-(1-fluoroethoxy)phenyl]-8-[1-[4-fluoro-3-(trifluoromethyl)phenyl]-5-pyridin-3-ylpyrazole-3-carbonyl]-1,8-diazaspiro[4.5]decan-4-one;5-fluoro-1'-[1-[4-fluoro-3-(trifluoromethyl)phenyl]-5-pyridin-3-ylpyrazole-3-carbonyl]spiro[1H-3,1-benzoxazine-4,4'-piperidine]-2-one;6-fluoro-1'-[1-[4-fluoro-3-(trifluoromethyl)phenyl]-5-pyridin-3-ylpyrazole-3-carbonyl]spiro[1H-3,1-benzoxazine-4,4'-piperidine]-2-one;1'-[1-[4-fluoro-3-(trifluoromethyl)phenyl]-5-pyridin-3-ylpyrazole-3-carbonyl]spiro[1H-pyrido[2,3-d][1,3]oxazine-4,4'-piperidine]-2-one?
The canonical SMILES for 6-chloro-1'-[1-[4-fluoro-3-(trifluoromethyl)phenyl]-5-pyridin-3-ylpyrazole-3-carbonyl]spiro[1H-3,1-benzoxazine-4,4'-piperidine]-2-one;1-[4-(1-fluoroethoxy)phenyl]-8-[1-[4-fluoro-3-(trifluoromethyl)phenyl]-5-pyridin-3-ylpyrazole-3-carbonyl]-1,8-diazaspiro[4.5]decan-4-one;5-fluoro-1'-[1-[4-fluoro-3-(trifluoromethyl)phenyl]-5-pyridin-3-ylpyrazole-3-carbonyl]spiro[1H-3,1-benzoxazine-4,4'-piperidine]-2-one;6-fluoro-1'-[1-[4-fluoro-3-(trifluoromethyl)phenyl]-5-pyridin-3-ylpyrazole-3-carbonyl]spiro[1H-3,1-benzoxazine-4,4'-piperidine]-2-one;1'-[1-[4-fluoro-3-(trifluoromethyl)phenyl]-5-pyridin-3-ylpyrazole-3-carbonyl]spiro[1H-pyrido[2,3-d][1,3]oxazine-4,4'-piperidine]-2-one is CC(F)Oc1ccc(N2CCC(=O)C23CCN(C(=O)c2cc(-c4cccnc4)n(-c4ccc(F)c(C(F)(F)F)c4)n2)CC3)cc1.O=C1Nc2ccc(Cl)cc2C2(CCN(C(=O)c3cc(-c4cccnc4)n(-c4ccc(F)c(C(F)(F)F)c4)n3)CC2)O1.O=C1Nc2ccc(F)cc2C2(CCN(C(=O)c3cc(-c4cccnc4)n(-c4ccc(F)c(C(F)(F)F)c4)n3)CC2)O1.O=C1Nc2cccc(F)c2C2(CCN(C(=O)c3cc(-c4cccnc4)n(-c4ccc(F)c(C(F)(F)F)c4)n3)CC2)O1.O=C1Nc2ncccc2C2(CCN(C(=O)c3cc(-c4cccnc4)n(-c4ccc(F)c(C(F)(F)F)c4)n3)CC2)O1.
What is the InChIKey of 6-chloro-1'-[1-[4-fluoro-3-(trifluoromethyl)phenyl]-5-pyridin-3-ylpyrazole-3-carbonyl]spiro[1H-3,1-benzoxazine-4,4'-piperidine]-2-one;1-[4-(1-fluoroethoxy)phenyl]-8-[1-[4-fluoro-3-(trifluoromethyl)phenyl]-5-pyridin-3-ylpyrazole-3-carbonyl]-1,8-diazaspiro[4.5]decan-4-one;5-fluoro-1'-[1-[4-fluoro-3-(trifluoromethyl)phenyl]-5-pyridin-3-ylpyrazole-3-carbonyl]spiro[1H-3,1-benzoxazine-4,4'-piperidine]-2-one;6-fluoro-1'-[1-[4-fluoro-3-(trifluoromethyl)phenyl]-5-pyridin-3-ylpyrazole-3-carbonyl]spiro[1H-3,1-benzoxazine-4,4'-piperidine]-2-one;1'-[1-[4-fluoro-3-(trifluoromethyl)phenyl]-5-pyridin-3-ylpyrazole-3-carbonyl]spiro[1H-pyrido[2,3-d][1,3]oxazine-4,4'-piperidine]-2-one?
The InChIKey is VTPYWZVTEBKNMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H28F5N5O3.C28H20ClF4N5O3.2C28H20F5N5O3.C27H20F4N6O3/c1-20(33)45-24-7-4-22(5-8-24)41-14-10-29(43)31(41)11-15-40(16-12-31)30(44)27-18-28(21-3-2-13-38-19-21)42(39-27)23-6-9-26(34)25(17-23)32(35,36)37;29-17-3-6-22-20(12-17)27(41-26(40)35-22)7-10-37(11-8-27)25(39)23-14-24(16-2-1-9-34-15-16)38(36-23)18-4-5-21(30)19(13-18)28(31,32)33;29-19-7-6-17(13-18(19)28(31,32)33)38-23(16-3-2-10-34-15-16)14-22(36-38)25(39)37-11-8-27(9-12-37)24-20(30)4-1-5-21(24)35-26(40)41-27;29-17-3-6-22-20(12-17)27(41-26(40)35-22)7-10-37(11-8-27)25(39)23-14-24(16-2-1-9-34-15-16)38(36-23)18-4-5-21(30)19(13-18)28(31,32)33;28-20-6-5-17(13-19(20)27(29,30)31)37-22(16-3-1-9-32-15-16)14-21(35-37)24(38)36-11-7-26(8-12-36)18-4-2-10-33-23(18)34-25(39)40-26/h2-9,13,17-20H,10-12,14-16H2,1H3;1-6,9,12-15H,7-8,10-11H2,(H,35,40);1-7,10,13-15H,8-9,11-12H2,(H,35,40);1-6,9,12-15H,7-8,10-11H2,(H,35,40);1-6,9-10,13-15H,7-8,11-12H2,(H,33,34,39).
What are the key properties of 6-chloro-1'-[1-[4-fluoro-3-(trifluoromethyl)phenyl]-5-pyridin-3-ylpyrazole-3-carbonyl]spiro[1H-3,1-benzoxazine-4,4'-piperidine]-2-one;1-[4-(1-fluoroethoxy)phenyl]-8-[1-[4-fluoro-3-(trifluoromethyl)phenyl]-5-pyridin-3-ylpyrazole-3-carbonyl]-1,8-diazaspiro[4.5]decan-4-one;5-fluoro-1'-[1-[4-fluoro-3-(trifluoromethyl)phenyl]-5-pyridin-3-ylpyrazole-3-carbonyl]spiro[1H-3,1-benzoxazine-4,4'-piperidine]-2-one;6-fluoro-1'-[1-[4-fluoro-3-(trifluoromethyl)phenyl]-5-pyridin-3-ylpyrazole-3-carbonyl]spiro[1H-3,1-benzoxazine-4,4'-piperidine]-2-one;1'-[1-[4-fluoro-3-(trifluoromethyl)phenyl]-5-pyridin-3-ylpyrazole-3-carbonyl]spiro[1H-pyrido[2,3-d][1,3]oxazine-4,4'-piperidine]-2-one?
6-chloro-1'-[1-[4-fluoro-3-(trifluoromethyl)phenyl]-5-pyridin-3-ylpyrazole-3-carbonyl]spiro[1H-3,1-benzoxazine-4,4'-piperidine]-2-one;1-[4-(1-fluoroethoxy)phenyl]-8-[1-[4-fluoro-3-(trifluoromethyl)phenyl]-5-pyridin-3-ylpyrazole-3-carbonyl]-1,8-diazaspiro[4.5]decan-4-one;5-fluoro-1'-[1-[4-fluoro-3-(trifluoromethyl)phenyl]-5-pyridin-3-ylpyrazole-3-carbonyl]spiro[1H-3,1-benzoxazine-4,4'-piperidine]-2-one;6-fluoro-1'-[1-[4-fluoro-3-(trifluoromethyl)phenyl]-5-pyridin-3-ylpyrazole-3-carbonyl]spiro[1H-3,1-benzoxazine-4,4'-piperidine]-2-one;1'-[1-[4-fluoro-3-(trifluoromethyl)phenyl]-5-pyridin-3-ylpyrazole-3-carbonyl]spiro[1H-pyrido[2,3-d][1,3]oxazine-4,4'-piperidine]-2-one has a molecular weight of 2903.01 g/mol, XLogP of 29.71, 18 rotatable bonds, 4 hydrogen bond donors, and 32 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-1'-[1-[4-fluoro-3-(trifluoromethyl)phenyl]-5-pyridin-3-ylpyrazole-3-carbonyl]spiro[1H-3,1-benzoxazine-4,4'-piperidine]-2-one;1-[4-(1-fluoroethoxy)phenyl]-8-[1-[4-fluoro-3-(trifluoromethyl)phenyl]-5-pyridin-3-ylpyrazole-3-carbonyl]-1,8-diazaspiro[4.5]decan-4-one;5-fluoro-1'-[1-[4-fluoro-3-(trifluoromethyl)phenyl]-5-pyridin-3-ylpyrazole-3-carbonyl]spiro[1H-3,1-benzoxazine-4,4'-piperidine]-2-one;6-fluoro-1'-[1-[4-fluoro-3-(trifluoromethyl)phenyl]-5-pyridin-3-ylpyrazole-3-carbonyl]spiro[1H-3,1-benzoxazine-4,4'-piperidine]-2-one;1'-[1-[4-fluoro-3-(trifluoromethyl)phenyl]-5-pyridin-3-ylpyrazole-3-carbonyl]spiro[1H-pyrido[2,3-d][1,3]oxazine-4,4'-piperidine]-2-one is sourced from PubChem (CID 161396188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).