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-(4,5-difluorocyclohexa-2,4-dien-1-yl)-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

C128H140F4N18O7 — CID 158059875

IUPAC1-[(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-(4,5-difluorocyclohexa-2,4-dien-1-yl)-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
SMILESCCNC(=O)c1ccc(-c2nn(-c3ccccc3)c(CC(=O)C[C@@H]3C[C@@H](CCOC)C[C@H]3c3ccccc3)c2C)cc1.COCCN1CCC(C2C=CC(F)=C(F)C2)C(CC(=O)Cc2c(C)c(-c3cnn(C)c3)nn2-c2ccccc2)C1.Cc1c(-c2cnn(C)c2)nn(-c2ccccc2)c1CC(=O)CC1CNCCC1c1ccc(F)c(F)c1.Cc1c(-c2cnn(C)c2)nn(-c2ccccc2)c1CC(=O)C[C@@H]1CN(Cc2ccccc2)[C@H]1c1ccccc1
InChIInChI=1S/C36H41N3O3.C33H33N5O.C31H37F2N5O2.C28H29F2N5O/c1-4-37-36(41)29-17-15-28(16-18-29)35-25(2)34(39(38-35)31-13-9-6-10-14-31)24-32(40)23-30-21-26(19-20-42-3)22-33(30)27-11-7-5-8-12-27;1-24-31(38(29-16-10-5-11-17-29)35-32(24)28-20-34-36(2)22-28)19-30(39)18-27-23-37(21-25-12-6-3-7-13-25)33(27)26-14-8-4-9-15-26;1-21-30(38(25-7-5-4-6-8-25)35-31(21)24-18-34-36(2)19-24)17-26(39)15-23-20-37(13-14-40-3)12-11-27(23)22-9-10-28(32)29(33)16-22;1-18-27(35(22-6-4-3-5-7-22)33-28(18)21-16-32-34(2)17-21)14-23(36)12-20-15-31-11-10-24(20)19-8-9-25(29)26(30)13-19/h5-18,26,30,33H,4,19-24H2,1-3H3,(H,37,41);3-17,20,22,27,33H,18-19,21,23H2,1-2H3;4-10,18-19,22-23,27H,11-17,20H2,1-3H3;3-9,13,16-17,20,24,31H,10-12,14-15H2,1-2H3/t26-,30+,33+;27-,33+;;/m11../s1
InChIKeyFKMWJYLSTKDNSH-MYPACHIHSA-N
MW2118.64 g/mol
LogP23.05
Rot. Bonds38

About 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-(4,5-difluorocyclohexa-2,4-dien-1-yl)-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

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-(4,5-difluorocyclohexa-2,4-dien-1-yl)-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 (PubChem CID 158059875) has the molecular formula C128H140F4N18O7 and a molecular weight of 2118.64 g/mol. Its IUPAC name is 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-(4,5-difluorocyclohexa-2,4-dien-1-yl)-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.

Molecular Properties

Compound Name1-[(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-(4,5-difluorocyclohexa-2,4-dien-1-yl)-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
PubChem CID158059875
Molecular FormulaC128H140F4N18O7
Molecular Weight2118.64 g/mol
Exact Mass2117.11
IUPAC Name1-[(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-(4,5-difluorocyclohexa-2,4-dien-1-yl)-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
SMILESCCNC(=O)c1ccc(-c2nn(-c3ccccc3)c(CC(=O)C[C@@H]3C[C@@H](CCOC)C[C@H]3c3ccccc3)c2C)cc1.COCCN1CCC(C2C=CC(F)=C(F)C2)C(CC(=O)Cc2c(C)c(-c3cnn(C)c3)nn2-c2ccccc2)C1.Cc1c(-c2cnn(C)c2)nn(-c2ccccc2)c1CC(=O)CC1CNCCC1c1ccc(F)c(F)c1.Cc1c(-c2cnn(C)c2)nn(-c2ccccc2)c1CC(=O)C[C@@H]1CN(Cc2ccccc2)[C@H]1c1ccccc1
InChIInChI=1S/C36H41N3O3.C33H33N5O.C31H37F2N5O2.C28H29F2N5O/c1-4-37-36(41)29-17-15-28(16-18-29)35-25(2)34(39(38-35)31-13-9-6-10-14-31)24-32(40)23-30-21-26(19-20-42-3)22-33(30)27-11-7-5-8-12-27;1-24-31(38(29-16-10-5-11-17-29)35-32(24)28-20-34-36(2)22-28)19-30(39)18-27-23-37(21-25-12-6-3-7-13-25)33(27)26-14-8-4-9-15-26;1-21-30(38(25-7-5-4-6-8-25)35-31(21)24-18-34-36(2)19-24)17-26(39)15-23-20-37(13-14-40-3)12-11-27(23)22-9-10-28(32)29(33)16-22;1-18-27(35(22-6-4-3-5-7-22)33-28(18)21-16-32-34(2)17-21)14-23(36)12-20-15-31-11-10-24(20)19-8-9-25(29)26(30)13-19/h5-18,26,30,33H,4,19-24H2,1-3H3,(H,37,41);3-17,20,22,27,33H,18-19,21,23H2,1-2H3;4-10,18-19,22-23,27H,11-17,20H2,1-3H3;3-9,13,16-17,20,24,31H,10-12,14-15H2,1-2H3/t26-,30+,33+;27-,33+;;/m11../s1
InChIKeyFKMWJYLSTKDNSH-MYPACHIHSA-N
XLogP23.05
TPSA259.09 Ų
H-Bond Donors2
H-Bond Acceptors24
Rotatable Bonds38
Heavy Atoms157
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002118.64
LogP ≤ 523.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1024

Analyze 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-(4,5-difluorocyclohexa-2,4-dien-1-yl)-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 with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethyl (2R,5S)-1-methyl-5-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)piperidine-2-carboxylate;N-[4-[(2R,5S)-1-methyl-5-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)piperidin-2-yl]-4-oxobutyl]-1-phenyl-3-(trifluoromethyl)pyrazole-4-carboxamide;N-[4-[(2S,5S)-1-methyl-5-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)piperidin-2-yl]-4-oxobutyl]-1-phenyl-3-(trifluoromethyl)pyrazole-4-carboxamide
CID 159384705
1-[(2R,3R)-1-benzyl-2-phenylazetidin-3-yl]-3-[4-methyl-3-(1-methylpyrrol-3-yl)-1-phenylpyrazol-5-yl]propan-2-one;1-[4-(3,4-difluorophenyl)-1-(2-methoxyethyl)piperidin-3-yl]-3-[4-methyl-3-(1-methylpyrrol-3-yl)-1-phenylpyrazol-5-yl]propan-2-one;1-[4-(3,4-difluorophenyl)piperidin-3-yl]-3-[4-methyl-3-(1-methylpyrrol-3-yl)-1-phenylpyrazol-5-yl]propan-2-one;N-ethyl-4-[5-[3-[(1S,2R,4R)-4-(2-methoxyethyl)-2-phenylcyclopentyl]-2-oxopropyl]-1-phenylpyrazol-3-yl]benzamide
CID 157446200
1-[(2R,3R)-1-benzyl-2-phenylazetidin-3-yl]-3-[4-methyl-3-(1-methylpyrrol-3-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 158940965
1-[(1S,2R,4R)-2-(2-chloro-4-pyridinyl)-4-(2-methoxyethyl)cyclopentyl]-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;1-[(1S,2R,4R)-4-(2-methoxyethyl)-2-(2-methyl-4-pyridinyl)cyclopentyl]-3-[4-methyl-3-(1-methylpyrazol-4-yl)-1-phenylpyrazol-5-yl]propan-2-one;4-[5-[3-[(1S,2R)-4-(2-methoxyethyl)-2-phenylcyclopentyl]-2-oxopropyl]-1-methylpyrazol-3-yl]-N-methylbenzamide
CID 159136727
1-[(2R,3R)-1-benzyl-2-phenylazetidin-3-yl]-3-[4-methyl-3-(1-methylpyrrol-3-yl)-1-phenylpyrazol-5-yl]propan-2-one;1-[4-(3,4-difluorophenyl)-1-(2-methoxyethyl)piperidin-3-yl]-3-[4-methyl-3-(1-methylpyrrol-3-yl)-1-phenylpyrazol-5-yl]propan-2-one;1-[4-(3,4-difluorophenyl)piperidin-3-yl]-3-[4-methyl-3-(1-methylpyrrol-3-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 159607258
N-ethyl-4-[5-[3-[(1S,2R,4R)-4-(2-methoxyethyl)-2-phenylcyclopentyl]-2-oxopropyl]-4-methyl-1-phenylpyrazol-3-yl]benzamide;1-[2-(6-fluoro-7-methyl-1,3,3a,4,9,9a-hexahydrobenzo[f]isoindol-2-yl)cyclohexyl]-3-(2H-pyrrol-3-yl)propan-2-one;1-[(1S,2R,4R)-4-(2-methoxyethyl)-2-(2-methyl-4-pyridinyl)cyclopentyl]-3-[4-methyl-3-(1-methylpyrazol-4-yl)-1-phenylpyrazol-5-yl]propan-2-one;4-[5-[3-[(1S,2R)-4-(2-methoxyethyl)-2-phenylcyclopentyl]-2-oxopropyl]-1-methylpyrazol-3-yl]-N-methylbenzamide
CID 160379768
1-[4-(3,4-difluorophenyl)-1-(2-methoxyethyl)piperidin-3-yl]-3-[4-methyl-3-(1-methylpyrrol-3-yl)-1-phenylpyrazol-5-yl]propan-2-one;1-[4-(3,4-difluorophenyl)piperidin-3-yl]-3-[4-methyl-3-(1-methylpyrrol-3-yl)-1-phenylpyrazol-5-yl]propan-2-one;N-ethyl-4-[5-[3-[(1S,2R,4R)-4-(2-methoxyethyl)-2-phenylcyclopentyl]-2-oxopropyl]-1-phenylpyrazol-3-yl]benzamide;4-[5-[3-[(1S,2R)-4-(2-methoxyethyl)-2-phenylcyclopentyl]-2-oxopropyl]-1-methylpyrazol-3-yl]-N-methylbenzamide
CID 160829620
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

Frequently Asked Questions

What is the IUPAC name of 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-(4,5-difluorocyclohexa-2,4-dien-1-yl)-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?
The IUPAC name of 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-(4,5-difluorocyclohexa-2,4-dien-1-yl)-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 158059875) is 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-(4,5-difluorocyclohexa-2,4-dien-1-yl)-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.
What is the SMILES notation for 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-(4,5-difluorocyclohexa-2,4-dien-1-yl)-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?
The canonical SMILES for 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-(4,5-difluorocyclohexa-2,4-dien-1-yl)-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 is CCNC(=O)c1ccc(-c2nn(-c3ccccc3)c(CC(=O)C[C@@H]3C[C@@H](CCOC)C[C@H]3c3ccccc3)c2C)cc1.COCCN1CCC(C2C=CC(F)=C(F)C2)C(CC(=O)Cc2c(C)c(-c3cnn(C)c3)nn2-c2ccccc2)C1.Cc1c(-c2cnn(C)c2)nn(-c2ccccc2)c1CC(=O)CC1CNCCC1c1ccc(F)c(F)c1.Cc1c(-c2cnn(C)c2)nn(-c2ccccc2)c1CC(=O)C[C@@H]1CN(Cc2ccccc2)[C@H]1c1ccccc1.
What is the InChIKey of 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-(4,5-difluorocyclohexa-2,4-dien-1-yl)-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?
The InChIKey is FKMWJYLSTKDNSH-MYPACHIHSA-N. The full InChI is InChI=1S/C36H41N3O3.C33H33N5O.C31H37F2N5O2.C28H29F2N5O/c1-4-37-36(41)29-17-15-28(16-18-29)35-25(2)34(39(38-35)31-13-9-6-10-14-31)24-32(40)23-30-21-26(19-20-42-3)22-33(30)27-11-7-5-8-12-27;1-24-31(38(29-16-10-5-11-17-29)35-32(24)28-20-34-36(2)22-28)19-30(39)18-27-23-37(21-25-12-6-3-7-13-25)33(27)26-14-8-4-9-15-26;1-21-30(38(25-7-5-4-6-8-25)35-31(21)24-18-34-36(2)19-24)17-26(39)15-23-20-37(13-14-40-3)12-11-27(23)22-9-10-28(32)29(33)16-22;1-18-27(35(22-6-4-3-5-7-22)33-28(18)21-16-32-34(2)17-21)14-23(36)12-20-15-31-11-10-24(20)19-8-9-25(29)26(30)13-19/h5-18,26,30,33H,4,19-24H2,1-3H3,(H,37,41);3-17,20,22,27,33H,18-19,21,23H2,1-2H3;4-10,18-19,22-23,27H,11-17,20H2,1-3H3;3-9,13,16-17,20,24,31H,10-12,14-15H2,1-2H3/t26-,30+,33+;27-,33+;;/m11../s1.
What are the key properties of 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-(4,5-difluorocyclohexa-2,4-dien-1-yl)-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?
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-(4,5-difluorocyclohexa-2,4-dien-1-yl)-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 has a molecular weight of 2118.64 g/mol, XLogP of 23.05, 38 rotatable bonds, 2 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for 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-(4,5-difluorocyclohexa-2,4-dien-1-yl)-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 is sourced from PubChem (CID 158059875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).