tert-butyl 4-(3,4-difluorophenyl)-3-[3-[4-methyl-3-(1-methylpyrazol-4-yl)-1-phenylpyrazol-5-yl]-2-oxopropyl]piperidine-1-carboxylate;1-[2-[(4-chlorophenyl)methyl]cyclohexyl]-3-[4-methyl-3-(1-methylpyrazol-4-yl)-1-phenylpyrazol-5-yl]propan-2-one;1-[(1S,2R,4R)-4-(2-methoxyethyl)-2-(3-methylphenyl)cyclopentyl]-3-[4-methyl-3-(1-methylpyrazol-4-yl)-1-phenylpyrazol-5-yl]propan-2-one;1-[1-methyl-3-(oxolan-2-yl)pyrazol-5-yl]-3-(2-pyrazol-1-ylcyclohexyl)propan-2-one;1-[2-(oxolan-3-ylmethyl)pyrazol-3-yl]-3-(2-pyrazol-1-ylcyclohexyl)propan-2-one

C135H164ClF2N21O10 — CID 159929076

IUPACtert-butyl 4-(3,4-difluorophenyl)-3-[3-[4-methyl-3-(1-methylpyrazol-4-yl)-1-phenylpyrazol-5-yl]-2-oxopropyl]piperidine-1-carboxylate;1-[2-[(4-chlorophenyl)methyl]cyclohexyl]-3-[4-methyl-3-(1-methylpyrazol-4-yl)-1-phenylpyrazol-5-yl]propan-2-one;1-[(1S,2R,4R)-4-(2-methoxyethyl)-2-(3-methylphenyl)cyclopentyl]-3-[4-methyl-3-(1-methylpyrazol-4-yl)-1-phenylpyrazol-5-yl]propan-2-one;1-[1-methyl-3-(oxolan-2-yl)pyrazol-5-yl]-3-(2-pyrazol-1-ylcyclohexyl)propan-2-one;1-[2-(oxolan-3-ylmethyl)pyrazol-3-yl]-3-(2-pyrazol-1-ylcyclohexyl)propan-2-one
SMILESCOCC[C@@H]1C[C@@H](CC(=O)Cc2c(C)c(-c3cnn(C)c3)nn2-c2ccccc2)[C@H](c2cccc(C)c2)C1.Cc1c(-c2cnn(C)c2)nn(-c2ccccc2)c1CC(=O)CC1CCCCC1Cc1ccc(Cl)cc1.Cc1c(-c2cnn(C)c2)nn(-c2ccccc2)c1CC(=O)CC1CN(C(=O)OC(C)(C)C)CCC1c1ccc(F)c(F)c1.Cn1nc(C2CCCO2)cc1CC(=O)CC1CCCCC1n1cccn1.O=C(Cc1ccnn1CC1CCOC1)CC1CCCCC1n1cccn1
InChIInChI=1S/C33H37F2N5O3.C32H38N4O2.C30H33ClN4O.2C20H28N4O2/c1-21-30(40(25-9-7-6-8-10-25)37-31(21)24-18-36-38(5)19-24)17-26(41)15-23-20-39(32(42)43-33(2,3)4)14-13-27(23)22-11-12-28(34)29(35)16-22;1-22-9-8-10-25(15-22)30-17-24(13-14-38-4)16-26(30)18-29(37)19-31-23(2)32(27-20-33-35(3)21-27)34-36(31)28-11-6-5-7-12-28;1-21-29(35(27-10-4-3-5-11-27)33-30(21)25-19-32-34(2)20-25)18-28(36)17-24-9-7-6-8-23(24)16-22-12-14-26(31)15-13-22;1-23-16(14-18(22-23)20-8-4-11-26-20)13-17(25)12-15-6-2-3-7-19(15)24-10-5-9-21-24;25-19(12-17-4-1-2-5-20(17)23-10-3-8-21-23)13-18-6-9-22-24(18)14-16-7-11-26-15-16/h6-12,16,18-19,23,27H,13-15,17,20H2,1-5H3;5-12,15,20-21,24,26,30H,13-14,16-19H2,1-4H3;3-5,10-15,19-20,23-24H,6-9,16-18H2,1-2H3;5,9-10,14-15,19-20H,2-4,6-8,11-13H2,1H3;3,6,8-10,16-17,20H,1-2,4-5,7,11-15H2/t;24-,26+,30+;;;/m.1.../s1
InChIKeyNZKDCGIDWRYNOA-VJYSPDBXSA-N
MW2314.38 g/mol
LogP25.88
Rot. Bonds38

About tert-butyl 4-(3,4-difluorophenyl)-3-[3-[4-methyl-3-(1-methylpyrazol-4-yl)-1-phenylpyrazol-5-yl]-2-oxopropyl]piperidine-1-carboxylate;1-[2-[(4-chlorophenyl)methyl]cyclohexyl]-3-[4-methyl-3-(1-methylpyrazol-4-yl)-1-phenylpyrazol-5-yl]propan-2-one;1-[(1S,2R,4R)-4-(2-methoxyethyl)-2-(3-methylphenyl)cyclopentyl]-3-[4-methyl-3-(1-methylpyrazol-4-yl)-1-phenylpyrazol-5-yl]propan-2-one;1-[1-methyl-3-(oxolan-2-yl)pyrazol-5-yl]-3-(2-pyrazol-1-ylcyclohexyl)propan-2-one;1-[2-(oxolan-3-ylmethyl)pyrazol-3-yl]-3-(2-pyrazol-1-ylcyclohexyl)propan-2-one

tert-butyl 4-(3,4-difluorophenyl)-3-[3-[4-methyl-3-(1-methylpyrazol-4-yl)-1-phenylpyrazol-5-yl]-2-oxopropyl]piperidine-1-carboxylate;1-[2-[(4-chlorophenyl)methyl]cyclohexyl]-3-[4-methyl-3-(1-methylpyrazol-4-yl)-1-phenylpyrazol-5-yl]propan-2-one;1-[(1S,2R,4R)-4-(2-methoxyethyl)-2-(3-methylphenyl)cyclopentyl]-3-[4-methyl-3-(1-methylpyrazol-4-yl)-1-phenylpyrazol-5-yl]propan-2-one;1-[1-methyl-3-(oxolan-2-yl)pyrazol-5-yl]-3-(2-pyrazol-1-ylcyclohexyl)propan-2-one;1-[2-(oxolan-3-ylmethyl)pyrazol-3-yl]-3-(2-pyrazol-1-ylcyclohexyl)propan-2-one (PubChem CID 159929076) has the molecular formula C135H164ClF2N21O10 and a molecular weight of 2314.38 g/mol. Its IUPAC name is tert-butyl 4-(3,4-difluorophenyl)-3-[3-[4-methyl-3-(1-methylpyrazol-4-yl)-1-phenylpyrazol-5-yl]-2-oxopropyl]piperidine-1-carboxylate;1-[2-[(4-chlorophenyl)methyl]cyclohexyl]-3-[4-methyl-3-(1-methylpyrazol-4-yl)-1-phenylpyrazol-5-yl]propan-2-one;1-[(1S,2R,4R)-4-(2-methoxyethyl)-2-(3-methylphenyl)cyclopentyl]-3-[4-methyl-3-(1-methylpyrazol-4-yl)-1-phenylpyrazol-5-yl]propan-2-one;1-[1-methyl-3-(oxolan-2-yl)pyrazol-5-yl]-3-(2-pyrazol-1-ylcyclohexyl)propan-2-one;1-[2-(oxolan-3-ylmethyl)pyrazol-3-yl]-3-(2-pyrazol-1-ylcyclohexyl)propan-2-one.

Molecular Properties

Compound Nametert-butyl 4-(3,4-difluorophenyl)-3-[3-[4-methyl-3-(1-methylpyrazol-4-yl)-1-phenylpyrazol-5-yl]-2-oxopropyl]piperidine-1-carboxylate;1-[2-[(4-chlorophenyl)methyl]cyclohexyl]-3-[4-methyl-3-(1-methylpyrazol-4-yl)-1-phenylpyrazol-5-yl]propan-2-one;1-[(1S,2R,4R)-4-(2-methoxyethyl)-2-(3-methylphenyl)cyclopentyl]-3-[4-methyl-3-(1-methylpyrazol-4-yl)-1-phenylpyrazol-5-yl]propan-2-one;1-[1-methyl-3-(oxolan-2-yl)pyrazol-5-yl]-3-(2-pyrazol-1-ylcyclohexyl)propan-2-one;1-[2-(oxolan-3-ylmethyl)pyrazol-3-yl]-3-(2-pyrazol-1-ylcyclohexyl)propan-2-one
PubChem CID159929076
Molecular FormulaC135H164ClF2N21O10
Molecular Weight2314.38 g/mol
Exact Mass2312.26
IUPAC Nametert-butyl 4-(3,4-difluorophenyl)-3-[3-[4-methyl-3-(1-methylpyrazol-4-yl)-1-phenylpyrazol-5-yl]-2-oxopropyl]piperidine-1-carboxylate;1-[2-[(4-chlorophenyl)methyl]cyclohexyl]-3-[4-methyl-3-(1-methylpyrazol-4-yl)-1-phenylpyrazol-5-yl]propan-2-one;1-[(1S,2R,4R)-4-(2-methoxyethyl)-2-(3-methylphenyl)cyclopentyl]-3-[4-methyl-3-(1-methylpyrazol-4-yl)-1-phenylpyrazol-5-yl]propan-2-one;1-[1-methyl-3-(oxolan-2-yl)pyrazol-5-yl]-3-(2-pyrazol-1-ylcyclohexyl)propan-2-one;1-[2-(oxolan-3-ylmethyl)pyrazol-3-yl]-3-(2-pyrazol-1-ylcyclohexyl)propan-2-one
SMILESCOCC[C@@H]1C[C@@H](CC(=O)Cc2c(C)c(-c3cnn(C)c3)nn2-c2ccccc2)[C@H](c2cccc(C)c2)C1.Cc1c(-c2cnn(C)c2)nn(-c2ccccc2)c1CC(=O)CC1CCCCC1Cc1ccc(Cl)cc1.Cc1c(-c2cnn(C)c2)nn(-c2ccccc2)c1CC(=O)CC1CN(C(=O)OC(C)(C)C)CCC1c1ccc(F)c(F)c1.Cn1nc(C2CCCO2)cc1CC(=O)CC1CCCCC1n1cccn1.O=C(Cc1ccnn1CC1CCOC1)CC1CCCCC1n1cccn1
InChIInChI=1S/C33H37F2N5O3.C32H38N4O2.C30H33ClN4O.2C20H28N4O2/c1-21-30(40(25-9-7-6-8-10-25)37-31(21)24-18-36-38(5)19-24)17-26(41)15-23-20-39(32(42)43-33(2,3)4)14-13-27(23)22-11-12-28(34)29(35)16-22;1-22-9-8-10-25(15-22)30-17-24(13-14-38-4)16-26(30)18-29(37)19-31-23(2)32(27-20-33-35(3)21-27)34-36(31)28-11-6-5-7-12-28;1-21-29(35(27-10-4-3-5-11-27)33-30(21)25-19-32-34(2)20-25)18-28(36)17-24-9-7-6-8-23(24)16-22-12-14-26(31)15-13-22;1-23-16(14-18(22-23)20-8-4-11-26-20)13-17(25)12-15-6-2-3-7-19(15)24-10-5-9-21-24;25-19(12-17-4-1-2-5-20(17)23-10-3-8-21-23)13-18-6-9-22-24(18)14-16-7-11-26-15-16/h6-12,16,18-19,23,27H,13-15,17,20H2,1-5H3;5-12,15,20-21,24,26,30H,13-14,16-19H2,1-4H3;3-5,10-15,19-20,23-24H,6-9,16-18H2,1-2H3;5,9-10,14-15,19-20H,2-4,6-8,11-13H2,1H3;3,6,8-10,16-17,20H,1-2,4-5,7,11-15H2/t;24-,26+,30+;;;/m.1.../s1
InChIKeyNZKDCGIDWRYNOA-VJYSPDBXSA-N
XLogP25.88
TPSA320.78 Ų
H-Bond Donors
H-Bond Acceptors30
Rotatable Bonds38
Heavy Atoms169
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002314.38
LogP ≤ 525.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1030

Analyze tert-butyl 4-(3,4-difluorophenyl)-3-[3-[4-methyl-3-(1-methylpyrazol-4-yl)-1-phenylpyrazol-5-yl]-2-oxopropyl]piperidine-1-carboxylate;1-[2-[(4-chlorophenyl)methyl]cyclohexyl]-3-[4-methyl-3-(1-methylpyrazol-4-yl)-1-phenylpyrazol-5-yl]propan-2-one;1-[(1S,2R,4R)-4-(2-methoxyethyl)-2-(3-methylphenyl)cyclopentyl]-3-[4-methyl-3-(1-methylpyrazol-4-yl)-1-phenylpyrazol-5-yl]propan-2-one;1-[1-methyl-3-(oxolan-2-yl)pyrazol-5-yl]-3-(2-pyrazol-1-ylcyclohexyl)propan-2-one;1-[2-(oxolan-3-ylmethyl)pyrazol-3-yl]-3-(2-pyrazol-1-ylcyclohexyl)propan-2-one with MolForge

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Launch Full Analysis

Related Compounds

1-[(2R,3R)-1-benzyl-2-phenylazetidin-3-yl]-3-[4-methyl-3-(1-methylpyrazol-4-yl)-1-phenylpyrazol-5-yl]propan-2-one;1-[4-(3,4-difluorophenyl)-1-(2-methoxyethyl)piperidin-3-yl]-3-[4-methyl-3-(1-methylpyrazol-4-yl)-1-phenylpyrazol-5-yl]propan-2-one;1-[4-(3,4-difluorophenyl)piperidin-3-yl]-3-[4-methyl-3-(1-methylpyrazol-4-yl)-1-phenylpyrazol-5-yl]propan-2-one;N-ethyl-4-[5-[3-[(1S,2R,4R)-4-(2-methoxyethyl)-2-phenylcyclopentyl]-2-oxopropyl]-4-methyl-1-phenylpyrazol-3-yl]benzamide
CID 162241347
N-[(3S,4R)-4-(3,4-difluorophenyl)-1-(2-methoxycyclohexyl)pyrrolidin-3-yl]-2-[4-methyl-3-(1-methylpyrazol-4-yl)-1-phenylpyrazol-5-yl]acetamide
CID 153137264
N-hydroxy-5-[5-[3-[(1S,2R,4R)-4-(2-methoxyethyl)-2-phenylcyclopentyl]-2-oxopropyl]-4-methyl-1-phenylpyrazol-3-yl]-1-methyl-2-oxopyridine-3-carboxamide
CID 159602047
N-[(3S,4R)-1-cyclobutyl-4-(3,4-difluorophenyl)pyrrolidin-3-yl]-2-[4-methyl-3-(1-methylpyrazol-4-yl)-1-phenylpyrazol-5-yl]acetamide
CID 162146498
1-[(3S,4R)-4-(2,5-difluoro-4-pyridinyl)-1-(2-methoxyethyl)pyrrolidin-3-yl]-3-[4-methyl-3-(1-methylpyrazol-4-yl)-1-phenylpyrazol-5-yl]propan-2-one
CID 148825639
N-[(3S,4R)-1-(2-methoxyethyl)-4-(3-phenylphenyl)pyrrolidin-3-yl]-2-[4-methyl-3-(1-methylpyrazol-4-yl)-1-phenylpyrazol-5-yl]acetamide
CID 147346876
1-[(3S,4R)-4-(1,3-benzodioxol-4-yl)-1-(2-methoxyethyl)pyrrolidin-3-yl]-3-[4-methyl-3-(1-methylpyrazol-4-yl)-1-phenylpyrazol-5-yl]propan-2-one
CID 147048517
5-[5-[3-[(3S,4R)-1-(2-methoxyethyl)-4-phenylpyrrolidin-3-yl]-2-oxopropyl]-4-methyl-1-phenylpyrazol-3-yl]-1-methyl-2-oxo-N-[(3R)-oxolan-3-yl]pyridine-3-carboxamide
CID 157451598
1-[(3S,4R)-4-(5,6-difluoro-3-pyridinyl)-1-(2-methoxyethyl)pyrrolidin-3-yl]-3-[4-methyl-3-(2-methylpyrimidin-5-yl)-1-phenylpyrazol-5-yl]propan-2-one
CID 153230835
tert-butyl 4-[5-[2-[[(1R,2S,4S)-4-(2-methoxyethyl)-2-phenylcyclopentyl]amino]-2-oxoethyl]-4-methyl-1-phenylpyrazol-3-yl]-3,6-dihydro-2H-pyridine-1-carboxylate
CID 160622047
1-[1-(3-chlorophenyl)-4-methyl-3-(1-methylpyrazol-4-yl)pyrazol-5-yl]-3-[(3S,4R)-4-(3,4-difluorophenyl)-1-(2-methoxyethyl)pyrrolidin-3-yl]urea
CID 71041122
1-[(3S,4R)-4-(3,4-difluorophenyl)-1-(2-methoxycyclohexyl)pyrrolidin-3-yl]-3-[4-methyl-3-(1-methylpyrazol-4-yl)-1-phenylpyrazol-5-yl]urea
CID 130359286

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-(3,4-difluorophenyl)-3-[3-[4-methyl-3-(1-methylpyrazol-4-yl)-1-phenylpyrazol-5-yl]-2-oxopropyl]piperidine-1-carboxylate;1-[2-[(4-chlorophenyl)methyl]cyclohexyl]-3-[4-methyl-3-(1-methylpyrazol-4-yl)-1-phenylpyrazol-5-yl]propan-2-one;1-[(1S,2R,4R)-4-(2-methoxyethyl)-2-(3-methylphenyl)cyclopentyl]-3-[4-methyl-3-(1-methylpyrazol-4-yl)-1-phenylpyrazol-5-yl]propan-2-one;1-[1-methyl-3-(oxolan-2-yl)pyrazol-5-yl]-3-(2-pyrazol-1-ylcyclohexyl)propan-2-one;1-[2-(oxolan-3-ylmethyl)pyrazol-3-yl]-3-(2-pyrazol-1-ylcyclohexyl)propan-2-one?
The IUPAC name of tert-butyl 4-(3,4-difluorophenyl)-3-[3-[4-methyl-3-(1-methylpyrazol-4-yl)-1-phenylpyrazol-5-yl]-2-oxopropyl]piperidine-1-carboxylate;1-[2-[(4-chlorophenyl)methyl]cyclohexyl]-3-[4-methyl-3-(1-methylpyrazol-4-yl)-1-phenylpyrazol-5-yl]propan-2-one;1-[(1S,2R,4R)-4-(2-methoxyethyl)-2-(3-methylphenyl)cyclopentyl]-3-[4-methyl-3-(1-methylpyrazol-4-yl)-1-phenylpyrazol-5-yl]propan-2-one;1-[1-methyl-3-(oxolan-2-yl)pyrazol-5-yl]-3-(2-pyrazol-1-ylcyclohexyl)propan-2-one;1-[2-(oxolan-3-ylmethyl)pyrazol-3-yl]-3-(2-pyrazol-1-ylcyclohexyl)propan-2-one (CID 159929076) is tert-butyl 4-(3,4-difluorophenyl)-3-[3-[4-methyl-3-(1-methylpyrazol-4-yl)-1-phenylpyrazol-5-yl]-2-oxopropyl]piperidine-1-carboxylate;1-[2-[(4-chlorophenyl)methyl]cyclohexyl]-3-[4-methyl-3-(1-methylpyrazol-4-yl)-1-phenylpyrazol-5-yl]propan-2-one;1-[(1S,2R,4R)-4-(2-methoxyethyl)-2-(3-methylphenyl)cyclopentyl]-3-[4-methyl-3-(1-methylpyrazol-4-yl)-1-phenylpyrazol-5-yl]propan-2-one;1-[1-methyl-3-(oxolan-2-yl)pyrazol-5-yl]-3-(2-pyrazol-1-ylcyclohexyl)propan-2-one;1-[2-(oxolan-3-ylmethyl)pyrazol-3-yl]-3-(2-pyrazol-1-ylcyclohexyl)propan-2-one.
What is the SMILES notation for tert-butyl 4-(3,4-difluorophenyl)-3-[3-[4-methyl-3-(1-methylpyrazol-4-yl)-1-phenylpyrazol-5-yl]-2-oxopropyl]piperidine-1-carboxylate;1-[2-[(4-chlorophenyl)methyl]cyclohexyl]-3-[4-methyl-3-(1-methylpyrazol-4-yl)-1-phenylpyrazol-5-yl]propan-2-one;1-[(1S,2R,4R)-4-(2-methoxyethyl)-2-(3-methylphenyl)cyclopentyl]-3-[4-methyl-3-(1-methylpyrazol-4-yl)-1-phenylpyrazol-5-yl]propan-2-one;1-[1-methyl-3-(oxolan-2-yl)pyrazol-5-yl]-3-(2-pyrazol-1-ylcyclohexyl)propan-2-one;1-[2-(oxolan-3-ylmethyl)pyrazol-3-yl]-3-(2-pyrazol-1-ylcyclohexyl)propan-2-one?
The canonical SMILES for tert-butyl 4-(3,4-difluorophenyl)-3-[3-[4-methyl-3-(1-methylpyrazol-4-yl)-1-phenylpyrazol-5-yl]-2-oxopropyl]piperidine-1-carboxylate;1-[2-[(4-chlorophenyl)methyl]cyclohexyl]-3-[4-methyl-3-(1-methylpyrazol-4-yl)-1-phenylpyrazol-5-yl]propan-2-one;1-[(1S,2R,4R)-4-(2-methoxyethyl)-2-(3-methylphenyl)cyclopentyl]-3-[4-methyl-3-(1-methylpyrazol-4-yl)-1-phenylpyrazol-5-yl]propan-2-one;1-[1-methyl-3-(oxolan-2-yl)pyrazol-5-yl]-3-(2-pyrazol-1-ylcyclohexyl)propan-2-one;1-[2-(oxolan-3-ylmethyl)pyrazol-3-yl]-3-(2-pyrazol-1-ylcyclohexyl)propan-2-one is COCC[C@@H]1C[C@@H](CC(=O)Cc2c(C)c(-c3cnn(C)c3)nn2-c2ccccc2)[C@H](c2cccc(C)c2)C1.Cc1c(-c2cnn(C)c2)nn(-c2ccccc2)c1CC(=O)CC1CCCCC1Cc1ccc(Cl)cc1.Cc1c(-c2cnn(C)c2)nn(-c2ccccc2)c1CC(=O)CC1CN(C(=O)OC(C)(C)C)CCC1c1ccc(F)c(F)c1.Cn1nc(C2CCCO2)cc1CC(=O)CC1CCCCC1n1cccn1.O=C(Cc1ccnn1CC1CCOC1)CC1CCCCC1n1cccn1.
What is the InChIKey of tert-butyl 4-(3,4-difluorophenyl)-3-[3-[4-methyl-3-(1-methylpyrazol-4-yl)-1-phenylpyrazol-5-yl]-2-oxopropyl]piperidine-1-carboxylate;1-[2-[(4-chlorophenyl)methyl]cyclohexyl]-3-[4-methyl-3-(1-methylpyrazol-4-yl)-1-phenylpyrazol-5-yl]propan-2-one;1-[(1S,2R,4R)-4-(2-methoxyethyl)-2-(3-methylphenyl)cyclopentyl]-3-[4-methyl-3-(1-methylpyrazol-4-yl)-1-phenylpyrazol-5-yl]propan-2-one;1-[1-methyl-3-(oxolan-2-yl)pyrazol-5-yl]-3-(2-pyrazol-1-ylcyclohexyl)propan-2-one;1-[2-(oxolan-3-ylmethyl)pyrazol-3-yl]-3-(2-pyrazol-1-ylcyclohexyl)propan-2-one?
The InChIKey is NZKDCGIDWRYNOA-VJYSPDBXSA-N. The full InChI is InChI=1S/C33H37F2N5O3.C32H38N4O2.C30H33ClN4O.2C20H28N4O2/c1-21-30(40(25-9-7-6-8-10-25)37-31(21)24-18-36-38(5)19-24)17-26(41)15-23-20-39(32(42)43-33(2,3)4)14-13-27(23)22-11-12-28(34)29(35)16-22;1-22-9-8-10-25(15-22)30-17-24(13-14-38-4)16-26(30)18-29(37)19-31-23(2)32(27-20-33-35(3)21-27)34-36(31)28-11-6-5-7-12-28;1-21-29(35(27-10-4-3-5-11-27)33-30(21)25-19-32-34(2)20-25)18-28(36)17-24-9-7-6-8-23(24)16-22-12-14-26(31)15-13-22;1-23-16(14-18(22-23)20-8-4-11-26-20)13-17(25)12-15-6-2-3-7-19(15)24-10-5-9-21-24;25-19(12-17-4-1-2-5-20(17)23-10-3-8-21-23)13-18-6-9-22-24(18)14-16-7-11-26-15-16/h6-12,16,18-19,23,27H,13-15,17,20H2,1-5H3;5-12,15,20-21,24,26,30H,13-14,16-19H2,1-4H3;3-5,10-15,19-20,23-24H,6-9,16-18H2,1-2H3;5,9-10,14-15,19-20H,2-4,6-8,11-13H2,1H3;3,6,8-10,16-17,20H,1-2,4-5,7,11-15H2/t;24-,26+,30+;;;/m.1.../s1.
What are the key properties of tert-butyl 4-(3,4-difluorophenyl)-3-[3-[4-methyl-3-(1-methylpyrazol-4-yl)-1-phenylpyrazol-5-yl]-2-oxopropyl]piperidine-1-carboxylate;1-[2-[(4-chlorophenyl)methyl]cyclohexyl]-3-[4-methyl-3-(1-methylpyrazol-4-yl)-1-phenylpyrazol-5-yl]propan-2-one;1-[(1S,2R,4R)-4-(2-methoxyethyl)-2-(3-methylphenyl)cyclopentyl]-3-[4-methyl-3-(1-methylpyrazol-4-yl)-1-phenylpyrazol-5-yl]propan-2-one;1-[1-methyl-3-(oxolan-2-yl)pyrazol-5-yl]-3-(2-pyrazol-1-ylcyclohexyl)propan-2-one;1-[2-(oxolan-3-ylmethyl)pyrazol-3-yl]-3-(2-pyrazol-1-ylcyclohexyl)propan-2-one?
tert-butyl 4-(3,4-difluorophenyl)-3-[3-[4-methyl-3-(1-methylpyrazol-4-yl)-1-phenylpyrazol-5-yl]-2-oxopropyl]piperidine-1-carboxylate;1-[2-[(4-chlorophenyl)methyl]cyclohexyl]-3-[4-methyl-3-(1-methylpyrazol-4-yl)-1-phenylpyrazol-5-yl]propan-2-one;1-[(1S,2R,4R)-4-(2-methoxyethyl)-2-(3-methylphenyl)cyclopentyl]-3-[4-methyl-3-(1-methylpyrazol-4-yl)-1-phenylpyrazol-5-yl]propan-2-one;1-[1-methyl-3-(oxolan-2-yl)pyrazol-5-yl]-3-(2-pyrazol-1-ylcyclohexyl)propan-2-one;1-[2-(oxolan-3-ylmethyl)pyrazol-3-yl]-3-(2-pyrazol-1-ylcyclohexyl)propan-2-one has a molecular weight of 2314.38 g/mol, XLogP of 25.88, 38 rotatable bonds, 0 hydrogen bond donors, and 30 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-(3,4-difluorophenyl)-3-[3-[4-methyl-3-(1-methylpyrazol-4-yl)-1-phenylpyrazol-5-yl]-2-oxopropyl]piperidine-1-carboxylate;1-[2-[(4-chlorophenyl)methyl]cyclohexyl]-3-[4-methyl-3-(1-methylpyrazol-4-yl)-1-phenylpyrazol-5-yl]propan-2-one;1-[(1S,2R,4R)-4-(2-methoxyethyl)-2-(3-methylphenyl)cyclopentyl]-3-[4-methyl-3-(1-methylpyrazol-4-yl)-1-phenylpyrazol-5-yl]propan-2-one;1-[1-methyl-3-(oxolan-2-yl)pyrazol-5-yl]-3-(2-pyrazol-1-ylcyclohexyl)propan-2-one;1-[2-(oxolan-3-ylmethyl)pyrazol-3-yl]-3-(2-pyrazol-1-ylcyclohexyl)propan-2-one is sourced from PubChem (CID 159929076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).