(3R)-1-(4-butylphenyl)-N-[3-(1,1-dioxo-1,4-thiazinan-4-yl)-4-fluorophenyl]-5-oxopyrrolidine-3-carboxamide;3-[1-(carbamoylamino)-5-(4-fluorophenyl)pyrrol-2-yl]propanoic acid;1-[3-(4-fluorophenyl)phenyl]-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]piperidin-4-amine;1-[(3R)-3-(3-fluorophenyl)pyrrolidin-1-yl]-4-(2-methylimidazol-1-yl)butan-1-one;3-[5-(4-methoxyphenyl)furan-2-yl]-N-[[3-(sulfamoylamino)phenyl]methyl]propanamide;[(3R)-1-(pyrazolo[1,5-a]pyrimidine-2-carbonyl)piperidin-3-yl]-[3-(trifluoromethyl)phenyl]methanone

C119H130F7N21O15S2 — CID 159128693

IUPAC(3R)-1-(4-butylphenyl)-N-[3-(1,1-dioxo-1,4-thiazinan-4-yl)-4-fluorophenyl]-5-oxopyrrolidine-3-carboxamide;3-[1-(carbamoylamino)-5-(4-fluorophenyl)pyrrol-2-yl]propanoic acid;1-[3-(4-fluorophenyl)phenyl]-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]piperidin-4-amine;1-[(3R)-3-(3-fluorophenyl)pyrrolidin-1-yl]-4-(2-methylimidazol-1-yl)butan-1-one;3-[5-(4-methoxyphenyl)furan-2-yl]-N-[[3-(sulfamoylamino)phenyl]methyl]propanamide;[(3R)-1-(pyrazolo[1,5-a]pyrimidine-2-carbonyl)piperidin-3-yl]-[3-(trifluoromethyl)phenyl]methanone
SMILESCCCCc1ccc(N2C[C@H](C(=O)Nc3ccc(F)c(N4CCS(=O)(=O)CC4)c3)CC2=O)cc1.COc1ccc(-c2ccc(CCC(=O)NCc3cccc(NS(N)(=O)=O)c3)o2)cc1.Cc1nc(CNC2CCN(c3cccc(-c4ccc(F)cc4)c3)CC2)n[nH]1.Cc1nccn1CCCC(=O)N1CC[C@H](c2cccc(F)c2)C1.NC(=O)Nn1c(CCC(=O)O)ccc1-c1ccc(F)cc1.O=C(c1cccc(C(F)(F)F)c1)[C@@H]1CCCN(C(=O)c2cc3ncccn3n2)C1
InChIInChI=1S/C25H30FN3O4S.C21H24FN5.C21H23N3O5S.C20H17F3N4O2.C18H22FN3O.C14H14FN3O3/c1-2-3-4-18-5-8-21(9-6-18)29-17-19(15-24(29)30)25(31)27-20-7-10-22(26)23(16-20)28-11-13-34(32,33)14-12-28;1-15-24-21(26-25-15)14-23-19-9-11-27(12-10-19)20-4-2-3-17(13-20)16-5-7-18(22)8-6-16;1-28-18-7-5-16(6-8-18)20-11-9-19(29-20)10-12-21(25)23-14-15-3-2-4-17(13-15)24-30(22,26)27;21-20(22,23)15-6-1-4-13(10-15)18(28)14-5-2-8-26(12-14)19(29)16-11-17-24-7-3-9-27(17)25-16;1-14-20-8-11-21(14)9-3-6-18(23)22-10-7-16(13-22)15-4-2-5-17(19)12-15;15-10-3-1-9(2-4-10)12-7-5-11(6-8-13(19)20)18(12)17-14(16)21/h5-10,16,19H,2-4,11-15,17H2,1H3,(H,27,31);2-8,13,19,23H,9-12,14H2,1H3,(H,24,25,26);2-9,11,13,24H,10,12,14H2,1H3,(H,23,25)(H2,22,26,27);1,3-4,6-7,9-11,14H,2,5,8,12H2;2,4-5,8,11-12,16H,3,6-7,9-10,13H2,1H3;1-5,7H,6,8H2,(H,19,20)(H3,16,17,21)/t19-;;;14-;16-;/m1..10./s1
InChIKeyKGPIYQVBXXHIMK-BZNNGXLGSA-N
MW2291.60 g/mol
LogP18.44
Rot. Bonds34

About (3R)-1-(4-butylphenyl)-N-[3-(1,1-dioxo-1,4-thiazinan-4-yl)-4-fluorophenyl]-5-oxopyrrolidine-3-carboxamide;3-[1-(carbamoylamino)-5-(4-fluorophenyl)pyrrol-2-yl]propanoic acid;1-[3-(4-fluorophenyl)phenyl]-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]piperidin-4-amine;1-[(3R)-3-(3-fluorophenyl)pyrrolidin-1-yl]-4-(2-methylimidazol-1-yl)butan-1-one;3-[5-(4-methoxyphenyl)furan-2-yl]-N-[[3-(sulfamoylamino)phenyl]methyl]propanamide;[(3R)-1-(pyrazolo[1,5-a]pyrimidine-2-carbonyl)piperidin-3-yl]-[3-(trifluoromethyl)phenyl]methanone

(3R)-1-(4-butylphenyl)-N-[3-(1,1-dioxo-1,4-thiazinan-4-yl)-4-fluorophenyl]-5-oxopyrrolidine-3-carboxamide;3-[1-(carbamoylamino)-5-(4-fluorophenyl)pyrrol-2-yl]propanoic acid;1-[3-(4-fluorophenyl)phenyl]-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]piperidin-4-amine;1-[(3R)-3-(3-fluorophenyl)pyrrolidin-1-yl]-4-(2-methylimidazol-1-yl)butan-1-one;3-[5-(4-methoxyphenyl)furan-2-yl]-N-[[3-(sulfamoylamino)phenyl]methyl]propanamide;[(3R)-1-(pyrazolo[1,5-a]pyrimidine-2-carbonyl)piperidin-3-yl]-[3-(trifluoromethyl)phenyl]methanone (PubChem CID 159128693) has the molecular formula C119H130F7N21O15S2 and a molecular weight of 2291.60 g/mol. Its IUPAC name is (3R)-1-(4-butylphenyl)-N-[3-(1,1-dioxo-1,4-thiazinan-4-yl)-4-fluorophenyl]-5-oxopyrrolidine-3-carboxamide;3-[1-(carbamoylamino)-5-(4-fluorophenyl)pyrrol-2-yl]propanoic acid;1-[3-(4-fluorophenyl)phenyl]-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]piperidin-4-amine;1-[(3R)-3-(3-fluorophenyl)pyrrolidin-1-yl]-4-(2-methylimidazol-1-yl)butan-1-one;3-[5-(4-methoxyphenyl)furan-2-yl]-N-[[3-(sulfamoylamino)phenyl]methyl]propanamide;[(3R)-1-(pyrazolo[1,5-a]pyrimidine-2-carbonyl)piperidin-3-yl]-[3-(trifluoromethyl)phenyl]methanone.

Molecular Properties

Compound Name(3R)-1-(4-butylphenyl)-N-[3-(1,1-dioxo-1,4-thiazinan-4-yl)-4-fluorophenyl]-5-oxopyrrolidine-3-carboxamide;3-[1-(carbamoylamino)-5-(4-fluorophenyl)pyrrol-2-yl]propanoic acid;1-[3-(4-fluorophenyl)phenyl]-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]piperidin-4-amine;1-[(3R)-3-(3-fluorophenyl)pyrrolidin-1-yl]-4-(2-methylimidazol-1-yl)butan-1-one;3-[5-(4-methoxyphenyl)furan-2-yl]-N-[[3-(sulfamoylamino)phenyl]methyl]propanamide;[(3R)-1-(pyrazolo[1,5-a]pyrimidine-2-carbonyl)piperidin-3-yl]-[3-(trifluoromethyl)phenyl]methanone
PubChem CID159128693
Molecular FormulaC119H130F7N21O15S2
Molecular Weight2291.60 g/mol
Exact Mass2289.94
IUPAC Name(3R)-1-(4-butylphenyl)-N-[3-(1,1-dioxo-1,4-thiazinan-4-yl)-4-fluorophenyl]-5-oxopyrrolidine-3-carboxamide;3-[1-(carbamoylamino)-5-(4-fluorophenyl)pyrrol-2-yl]propanoic acid;1-[3-(4-fluorophenyl)phenyl]-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]piperidin-4-amine;1-[(3R)-3-(3-fluorophenyl)pyrrolidin-1-yl]-4-(2-methylimidazol-1-yl)butan-1-one;3-[5-(4-methoxyphenyl)furan-2-yl]-N-[[3-(sulfamoylamino)phenyl]methyl]propanamide;[(3R)-1-(pyrazolo[1,5-a]pyrimidine-2-carbonyl)piperidin-3-yl]-[3-(trifluoromethyl)phenyl]methanone
SMILESCCCCc1ccc(N2C[C@H](C(=O)Nc3ccc(F)c(N4CCS(=O)(=O)CC4)c3)CC2=O)cc1.COc1ccc(-c2ccc(CCC(=O)NCc3cccc(NS(N)(=O)=O)c3)o2)cc1.Cc1nc(CNC2CCN(c3cccc(-c4ccc(F)cc4)c3)CC2)n[nH]1.Cc1nccn1CCCC(=O)N1CC[C@H](c2cccc(F)c2)C1.NC(=O)Nn1c(CCC(=O)O)ccc1-c1ccc(F)cc1.O=C(c1cccc(C(F)(F)F)c1)[C@@H]1CCCN(C(=O)c2cc3ncccn3n2)C1
InChIInChI=1S/C25H30FN3O4S.C21H24FN5.C21H23N3O5S.C20H17F3N4O2.C18H22FN3O.C14H14FN3O3/c1-2-3-4-18-5-8-21(9-6-18)29-17-19(15-24(29)30)25(31)27-20-7-10-22(26)23(16-20)28-11-13-34(32,33)14-12-28;1-15-24-21(26-25-15)14-23-19-9-11-27(12-10-19)20-4-2-3-17(13-20)16-5-7-18(22)8-6-16;1-28-18-7-5-16(6-8-18)20-11-9-19(29-20)10-12-21(25)23-14-15-3-2-4-17(13-15)24-30(22,26)27;21-20(22,23)15-6-1-4-13(10-15)18(28)14-5-2-8-26(12-14)19(29)16-11-17-24-7-3-9-27(17)25-16;1-14-20-8-11-21(14)9-3-6-18(23)22-10-7-16(13-22)15-4-2-5-17(19)12-15;15-10-3-1-9(2-4-10)12-7-5-11(6-8-13(19)20)18(12)17-14(16)21/h5-10,16,19H,2-4,11-15,17H2,1H3,(H,27,31);2-8,13,19,23H,9-12,14H2,1H3,(H,24,25,26);2-9,11,13,24H,10,12,14H2,1H3,(H,23,25)(H2,22,26,27);1,3-4,6-7,9-11,14H,2,5,8,12H2;2,4-5,8,11-12,16H,3,6-7,9-10,13H2,1H3;1-5,7H,6,8H2,(H,19,20)(H3,16,17,21)/t19-;;;14-;16-;/m1..10./s1
InChIKeyKGPIYQVBXXHIMK-BZNNGXLGSA-N
XLogP18.44
TPSA470.34 Ų
H-Bond Donors9
H-Bond Acceptors25
Rotatable Bonds34
Heavy Atoms164
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002291.60
LogP ≤ 518.44
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1025

Analyze (3R)-1-(4-butylphenyl)-N-[3-(1,1-dioxo-1,4-thiazinan-4-yl)-4-fluorophenyl]-5-oxopyrrolidine-3-carboxamide;3-[1-(carbamoylamino)-5-(4-fluorophenyl)pyrrol-2-yl]propanoic acid;1-[3-(4-fluorophenyl)phenyl]-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]piperidin-4-amine;1-[(3R)-3-(3-fluorophenyl)pyrrolidin-1-yl]-4-(2-methylimidazol-1-yl)butan-1-one;3-[5-(4-methoxyphenyl)furan-2-yl]-N-[[3-(sulfamoylamino)phenyl]methyl]propanamide;[(3R)-1-(pyrazolo[1,5-a]pyrimidine-2-carbonyl)piperidin-3-yl]-[3-(trifluoromethyl)phenyl]methanone with MolForge

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Related Compounds

3-[5-(4-aminophenyl)-1-(carbamoylamino)pyrrol-2-yl]propanoic acid;(E)-3-(1,3-benzodioxol-5-yl)-1-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]prop-2-en-1-one;2-[2-(4-chloro-3,5-dimethylpyrazol-1-yl)-1H-imidazol-5-yl]-1-[4-(4-fluorophenyl)piperazin-1-yl]ethanone;4-[1-[(4-fluorophenyl)methyl]indol-3-yl]butanamide;N-[(1R)-2-methyl-1-(1H-pyrrol-2-yl)propyl]-2-[(S)-(1-phenyl-5-pyrrol-1-ylpyrazol-4-yl)methylsulfinyl]acetamide;[(3S)-1-(pyrazolo[1,5-a]pyrimidine-2-carbonyl)piperidin-3-yl]-[3-(trifluoromethyl)phenyl]methanone
CID 158008332
(E)-3-(1,3-benzodioxol-5-yl)-1-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]prop-2-en-1-one;[3-(1,1-difluoroethyl)phenyl]-[(3R)-1-(pyrazolo[1,5-a]pyrimidine-2-carbonyl)piperidin-3-yl]methanone;[2-(4-fluorophenyl)-5-(3-oxobutyl)pyrrol-1-yl]urea;1-[4-(4-fluorophenyl)piperazin-1-yl]-2-[2-(3,4,5-trimethylpyrazol-1-yl)-1,3-thiazol-4-yl]ethanone;3-[5-(4-methoxyphenyl)furan-2-yl]-N-[[3-(methylsulfonylmethyl)phenyl]methyl]propanamide;4-(2-methylimidazol-1-yl)-1-[(3R)-3-(3-methylphenyl)pyrrolidin-1-yl]butan-1-one;4-[1-[(4-methylphenyl)methyl]indol-3-yl]butanoic acid;N-[(1R)-2-methyl-1-thiophen-2-ylpropyl]-2-[(S)-(1-phenyl-5-pyrrol-1-ylpyrazol-4-yl)methylsulfinyl]acetamide
CID 158356099
(3S)-1-(4-butylphenyl)-N-[3-(1,1-dioxo-1,4-thiazinan-4-yl)-4-fluorophenyl]-5-oxopyrrolidine-3-carboxamide;[3-(1,1-difluoroethyl)phenyl]-[(3S)-1-(pyrazolo[1,5-a]pyrimidine-2-carbonyl)piperidin-3-yl]methanone;[2-(4-fluorophenyl)-5-(3-oxobutyl)pyrrol-1-yl]urea;3-[5-(4-methoxyphenyl)furan-2-yl]-N-[[3-(methylsulfonylmethyl)phenyl]methyl]propanamide;4-(2-methylimidazol-1-yl)-1-[(3R)-3-(3-methylphenyl)pyrrolidin-1-yl]butan-1-one;N-[(1R)-2-methyl-1-thiophen-2-ylpropyl]-3-oxo-4-(1-phenyl-5-pyrrol-1-ylpyrazol-4-yl)butanamide
CID 159045756
(3S)-1-(4-butylphenyl)-N-[3-(1,1-dioxo-1,4-thiazinan-4-yl)-4-fluorophenyl]-5-oxopyrrolidine-3-carboxamide;[3-(1,1-difluoroethyl)phenyl]-[(3S)-1-(pyrazolo[1,5-a]pyrimidine-2-carbonyl)piperidin-3-yl]methanone;[2-(4-fluorophenyl)-5-(3-oxobutyl)pyrrol-1-yl]urea;methane;3-[5-(4-methoxyphenyl)furan-2-yl]-N-[[3-(methylsulfonylmethyl)phenyl]methyl]propanamide;4-(2-methylimidazol-1-yl)-1-[(3R)-3-(3-methylphenyl)pyrrolidin-1-yl]butan-1-one;N-[(1R)-2-methyl-1-thiophen-2-ylpropyl]-3-oxo-4-(1-phenyl-5-pyrrol-1-ylpyrazol-4-yl)butanamide
CID 159799819
(3R)-1-(4-butylphenyl)-N-[3-(1,1-dioxo-1,4-thiazinan-4-yl)-4-fluorophenyl]-5-oxopyrrolidine-3-carboxamide;3-[1-(carbamoylamino)-5-(4-methylphenyl)pyrrol-2-yl]propanoic acid;5-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-(2-imidazol-1-ylethyl)-N-methylpyridin-2-amine;N-[[3-(methanesulfonamido)phenyl]methyl]-3-[5-(4-methoxyphenyl)furan-2-yl]propanamide;4-(2-methylimidazol-1-yl)-1-[(3R)-3-(3-methylphenyl)pyrrolidin-1-yl]butan-1-one;1-[3-(4-methylphenyl)phenyl]-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]piperidin-4-amine;3-(1-methylpyrazol-4-yl)-1-[(3S)-3-[1-[3-(trifluoromethyl)phenyl]ethenyl]piperidin-1-yl]propan-1-one
CID 161607695

Frequently Asked Questions

What is the IUPAC name of (3R)-1-(4-butylphenyl)-N-[3-(1,1-dioxo-1,4-thiazinan-4-yl)-4-fluorophenyl]-5-oxopyrrolidine-3-carboxamide;3-[1-(carbamoylamino)-5-(4-fluorophenyl)pyrrol-2-yl]propanoic acid;1-[3-(4-fluorophenyl)phenyl]-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]piperidin-4-amine;1-[(3R)-3-(3-fluorophenyl)pyrrolidin-1-yl]-4-(2-methylimidazol-1-yl)butan-1-one;3-[5-(4-methoxyphenyl)furan-2-yl]-N-[[3-(sulfamoylamino)phenyl]methyl]propanamide;[(3R)-1-(pyrazolo[1,5-a]pyrimidine-2-carbonyl)piperidin-3-yl]-[3-(trifluoromethyl)phenyl]methanone?
The IUPAC name of (3R)-1-(4-butylphenyl)-N-[3-(1,1-dioxo-1,4-thiazinan-4-yl)-4-fluorophenyl]-5-oxopyrrolidine-3-carboxamide;3-[1-(carbamoylamino)-5-(4-fluorophenyl)pyrrol-2-yl]propanoic acid;1-[3-(4-fluorophenyl)phenyl]-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]piperidin-4-amine;1-[(3R)-3-(3-fluorophenyl)pyrrolidin-1-yl]-4-(2-methylimidazol-1-yl)butan-1-one;3-[5-(4-methoxyphenyl)furan-2-yl]-N-[[3-(sulfamoylamino)phenyl]methyl]propanamide;[(3R)-1-(pyrazolo[1,5-a]pyrimidine-2-carbonyl)piperidin-3-yl]-[3-(trifluoromethyl)phenyl]methanone (CID 159128693) is (3R)-1-(4-butylphenyl)-N-[3-(1,1-dioxo-1,4-thiazinan-4-yl)-4-fluorophenyl]-5-oxopyrrolidine-3-carboxamide;3-[1-(carbamoylamino)-5-(4-fluorophenyl)pyrrol-2-yl]propanoic acid;1-[3-(4-fluorophenyl)phenyl]-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]piperidin-4-amine;1-[(3R)-3-(3-fluorophenyl)pyrrolidin-1-yl]-4-(2-methylimidazol-1-yl)butan-1-one;3-[5-(4-methoxyphenyl)furan-2-yl]-N-[[3-(sulfamoylamino)phenyl]methyl]propanamide;[(3R)-1-(pyrazolo[1,5-a]pyrimidine-2-carbonyl)piperidin-3-yl]-[3-(trifluoromethyl)phenyl]methanone.
What is the SMILES notation for (3R)-1-(4-butylphenyl)-N-[3-(1,1-dioxo-1,4-thiazinan-4-yl)-4-fluorophenyl]-5-oxopyrrolidine-3-carboxamide;3-[1-(carbamoylamino)-5-(4-fluorophenyl)pyrrol-2-yl]propanoic acid;1-[3-(4-fluorophenyl)phenyl]-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]piperidin-4-amine;1-[(3R)-3-(3-fluorophenyl)pyrrolidin-1-yl]-4-(2-methylimidazol-1-yl)butan-1-one;3-[5-(4-methoxyphenyl)furan-2-yl]-N-[[3-(sulfamoylamino)phenyl]methyl]propanamide;[(3R)-1-(pyrazolo[1,5-a]pyrimidine-2-carbonyl)piperidin-3-yl]-[3-(trifluoromethyl)phenyl]methanone?
The canonical SMILES for (3R)-1-(4-butylphenyl)-N-[3-(1,1-dioxo-1,4-thiazinan-4-yl)-4-fluorophenyl]-5-oxopyrrolidine-3-carboxamide;3-[1-(carbamoylamino)-5-(4-fluorophenyl)pyrrol-2-yl]propanoic acid;1-[3-(4-fluorophenyl)phenyl]-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]piperidin-4-amine;1-[(3R)-3-(3-fluorophenyl)pyrrolidin-1-yl]-4-(2-methylimidazol-1-yl)butan-1-one;3-[5-(4-methoxyphenyl)furan-2-yl]-N-[[3-(sulfamoylamino)phenyl]methyl]propanamide;[(3R)-1-(pyrazolo[1,5-a]pyrimidine-2-carbonyl)piperidin-3-yl]-[3-(trifluoromethyl)phenyl]methanone is CCCCc1ccc(N2C[C@H](C(=O)Nc3ccc(F)c(N4CCS(=O)(=O)CC4)c3)CC2=O)cc1.COc1ccc(-c2ccc(CCC(=O)NCc3cccc(NS(N)(=O)=O)c3)o2)cc1.Cc1nc(CNC2CCN(c3cccc(-c4ccc(F)cc4)c3)CC2)n[nH]1.Cc1nccn1CCCC(=O)N1CC[C@H](c2cccc(F)c2)C1.NC(=O)Nn1c(CCC(=O)O)ccc1-c1ccc(F)cc1.O=C(c1cccc(C(F)(F)F)c1)[C@@H]1CCCN(C(=O)c2cc3ncccn3n2)C1.
What is the InChIKey of (3R)-1-(4-butylphenyl)-N-[3-(1,1-dioxo-1,4-thiazinan-4-yl)-4-fluorophenyl]-5-oxopyrrolidine-3-carboxamide;3-[1-(carbamoylamino)-5-(4-fluorophenyl)pyrrol-2-yl]propanoic acid;1-[3-(4-fluorophenyl)phenyl]-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]piperidin-4-amine;1-[(3R)-3-(3-fluorophenyl)pyrrolidin-1-yl]-4-(2-methylimidazol-1-yl)butan-1-one;3-[5-(4-methoxyphenyl)furan-2-yl]-N-[[3-(sulfamoylamino)phenyl]methyl]propanamide;[(3R)-1-(pyrazolo[1,5-a]pyrimidine-2-carbonyl)piperidin-3-yl]-[3-(trifluoromethyl)phenyl]methanone?
The InChIKey is KGPIYQVBXXHIMK-BZNNGXLGSA-N. The full InChI is InChI=1S/C25H30FN3O4S.C21H24FN5.C21H23N3O5S.C20H17F3N4O2.C18H22FN3O.C14H14FN3O3/c1-2-3-4-18-5-8-21(9-6-18)29-17-19(15-24(29)30)25(31)27-20-7-10-22(26)23(16-20)28-11-13-34(32,33)14-12-28;1-15-24-21(26-25-15)14-23-19-9-11-27(12-10-19)20-4-2-3-17(13-20)16-5-7-18(22)8-6-16;1-28-18-7-5-16(6-8-18)20-11-9-19(29-20)10-12-21(25)23-14-15-3-2-4-17(13-15)24-30(22,26)27;21-20(22,23)15-6-1-4-13(10-15)18(28)14-5-2-8-26(12-14)19(29)16-11-17-24-7-3-9-27(17)25-16;1-14-20-8-11-21(14)9-3-6-18(23)22-10-7-16(13-22)15-4-2-5-17(19)12-15;15-10-3-1-9(2-4-10)12-7-5-11(6-8-13(19)20)18(12)17-14(16)21/h5-10,16,19H,2-4,11-15,17H2,1H3,(H,27,31);2-8,13,19,23H,9-12,14H2,1H3,(H,24,25,26);2-9,11,13,24H,10,12,14H2,1H3,(H,23,25)(H2,22,26,27);1,3-4,6-7,9-11,14H,2,5,8,12H2;2,4-5,8,11-12,16H,3,6-7,9-10,13H2,1H3;1-5,7H,6,8H2,(H,19,20)(H3,16,17,21)/t19-;;;14-;16-;/m1..10./s1.
What are the key properties of (3R)-1-(4-butylphenyl)-N-[3-(1,1-dioxo-1,4-thiazinan-4-yl)-4-fluorophenyl]-5-oxopyrrolidine-3-carboxamide;3-[1-(carbamoylamino)-5-(4-fluorophenyl)pyrrol-2-yl]propanoic acid;1-[3-(4-fluorophenyl)phenyl]-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]piperidin-4-amine;1-[(3R)-3-(3-fluorophenyl)pyrrolidin-1-yl]-4-(2-methylimidazol-1-yl)butan-1-one;3-[5-(4-methoxyphenyl)furan-2-yl]-N-[[3-(sulfamoylamino)phenyl]methyl]propanamide;[(3R)-1-(pyrazolo[1,5-a]pyrimidine-2-carbonyl)piperidin-3-yl]-[3-(trifluoromethyl)phenyl]methanone?
(3R)-1-(4-butylphenyl)-N-[3-(1,1-dioxo-1,4-thiazinan-4-yl)-4-fluorophenyl]-5-oxopyrrolidine-3-carboxamide;3-[1-(carbamoylamino)-5-(4-fluorophenyl)pyrrol-2-yl]propanoic acid;1-[3-(4-fluorophenyl)phenyl]-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]piperidin-4-amine;1-[(3R)-3-(3-fluorophenyl)pyrrolidin-1-yl]-4-(2-methylimidazol-1-yl)butan-1-one;3-[5-(4-methoxyphenyl)furan-2-yl]-N-[[3-(sulfamoylamino)phenyl]methyl]propanamide;[(3R)-1-(pyrazolo[1,5-a]pyrimidine-2-carbonyl)piperidin-3-yl]-[3-(trifluoromethyl)phenyl]methanone has a molecular weight of 2291.60 g/mol, XLogP of 18.44, 34 rotatable bonds, 9 hydrogen bond donors, and 25 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-(4-butylphenyl)-N-[3-(1,1-dioxo-1,4-thiazinan-4-yl)-4-fluorophenyl]-5-oxopyrrolidine-3-carboxamide;3-[1-(carbamoylamino)-5-(4-fluorophenyl)pyrrol-2-yl]propanoic acid;1-[3-(4-fluorophenyl)phenyl]-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]piperidin-4-amine;1-[(3R)-3-(3-fluorophenyl)pyrrolidin-1-yl]-4-(2-methylimidazol-1-yl)butan-1-one;3-[5-(4-methoxyphenyl)furan-2-yl]-N-[[3-(sulfamoylamino)phenyl]methyl]propanamide;[(3R)-1-(pyrazolo[1,5-a]pyrimidine-2-carbonyl)piperidin-3-yl]-[3-(trifluoromethyl)phenyl]methanone is sourced from PubChem (CID 159128693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).