3-(3-bromophenyl)-1-methyl-6-[(2R)-2-[(propan-2-ylamino)methyl]pyrrolidin-1-yl]-4-pyridin-4-ylpyridin-2-one;3-(4-chlorophenyl)-1-methyl-6-[(2S)-2-[(propan-2-ylamino)methyl]pyrrolidin-1-yl]-4-pyridin-4-ylpyridin-2-one;3-(4-chlorophenyl)-1-methyl-6-[(2R)-2-[(propan-2-ylamino)methyl]pyrrolidin-1-yl]-4-pyridin-4-ylpyridin-2-one;4-(2-chloro-4-pyridinyl)-6-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-1-methyl-3-(3-methylphenyl)pyridin-2-one;1-methyl-3-naphthalen-2-yl-6-[(2R)-2-[(propan-2-ylamino)methyl]pyrrolidin-1-yl]-4-pyridin-4-ylpyridin-2-one

C128H145BrCl3N19O6 — CID 159849015

IUPAC3-(3-bromophenyl)-1-methyl-6-[(2R)-2-[(propan-2-ylamino)methyl]pyrrolidin-1-yl]-4-pyridin-4-ylpyridin-2-one;3-(4-chlorophenyl)-1-methyl-6-[(2S)-2-[(propan-2-ylamino)methyl]pyrrolidin-1-yl]-4-pyridin-4-ylpyridin-2-one;3-(4-chlorophenyl)-1-methyl-6-[(2R)-2-[(propan-2-ylamino)methyl]pyrrolidin-1-yl]-4-pyridin-4-ylpyridin-2-one;4-(2-chloro-4-pyridinyl)-6-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-1-methyl-3-(3-methylphenyl)pyridin-2-one;1-methyl-3-naphthalen-2-yl-6-[(2R)-2-[(propan-2-ylamino)methyl]pyrrolidin-1-yl]-4-pyridin-4-ylpyridin-2-one
SMILESCC(C)NC[C@@H]1CCCN1c1cc(-c2ccncc2)c(-c2ccc(Cl)cc2)c(=O)n1C.CC(C)NC[C@H]1CCCN1c1cc(-c2ccncc2)c(-c2ccc(Cl)cc2)c(=O)n1C.CC(C)NC[C@H]1CCCN1c1cc(-c2ccncc2)c(-c2ccc3ccccc3c2)c(=O)n1C.CC(C)NC[C@H]1CCCN1c1cc(-c2ccncc2)c(-c2cccc(Br)c2)c(=O)n1C.COC[C@@H]1CCCN1c1cc(-c2ccnc(Cl)c2)c(-c2cccc(C)c2)c(=O)n1C
InChIInChI=1S/C29H32N4O.C25H29BrN4O.2C25H29ClN4O.C24H26ClN3O2/c1-20(2)31-19-25-9-6-16-33(25)27-18-26(22-12-14-30-15-13-22)28(29(34)32(27)3)24-11-10-21-7-4-5-8-23(21)17-24;1-17(2)28-16-21-8-5-13-30(21)23-15-22(18-9-11-27-12-10-18)24(25(31)29(23)3)19-6-4-7-20(26)14-19;2*1-17(2)28-16-21-5-4-14-30(21)23-15-22(18-10-12-27-13-11-18)24(25(31)29(23)3)19-6-8-20(26)9-7-19;1-16-6-4-7-18(12-16)23-20(17-9-10-26-21(25)13-17)14-22(27(2)24(23)29)28-11-5-8-19(28)15-30-3/h4-5,7-8,10-15,17-18,20,25,31H,6,9,16,19H2,1-3H3;4,6-7,9-12,14-15,17,21,28H,5,8,13,16H2,1-3H3;2*6-13,15,17,21,28H,4-5,14,16H2,1-3H3;4,6-7,9-10,12-14,19H,5,8,11,15H2,1-3H3/t25-;3*21-;19-/m11100/s1
InChIKeyNPRMCRAEQIJHRB-RNTYDUJISA-N
MW2231.96 g/mol
LogP24.24
Rot. Bonds29

About 3-(3-bromophenyl)-1-methyl-6-[(2R)-2-[(propan-2-ylamino)methyl]pyrrolidin-1-yl]-4-pyridin-4-ylpyridin-2-one;3-(4-chlorophenyl)-1-methyl-6-[(2S)-2-[(propan-2-ylamino)methyl]pyrrolidin-1-yl]-4-pyridin-4-ylpyridin-2-one;3-(4-chlorophenyl)-1-methyl-6-[(2R)-2-[(propan-2-ylamino)methyl]pyrrolidin-1-yl]-4-pyridin-4-ylpyridin-2-one;4-(2-chloro-4-pyridinyl)-6-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-1-methyl-3-(3-methylphenyl)pyridin-2-one;1-methyl-3-naphthalen-2-yl-6-[(2R)-2-[(propan-2-ylamino)methyl]pyrrolidin-1-yl]-4-pyridin-4-ylpyridin-2-one

3-(3-bromophenyl)-1-methyl-6-[(2R)-2-[(propan-2-ylamino)methyl]pyrrolidin-1-yl]-4-pyridin-4-ylpyridin-2-one;3-(4-chlorophenyl)-1-methyl-6-[(2S)-2-[(propan-2-ylamino)methyl]pyrrolidin-1-yl]-4-pyridin-4-ylpyridin-2-one;3-(4-chlorophenyl)-1-methyl-6-[(2R)-2-[(propan-2-ylamino)methyl]pyrrolidin-1-yl]-4-pyridin-4-ylpyridin-2-one;4-(2-chloro-4-pyridinyl)-6-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-1-methyl-3-(3-methylphenyl)pyridin-2-one;1-methyl-3-naphthalen-2-yl-6-[(2R)-2-[(propan-2-ylamino)methyl]pyrrolidin-1-yl]-4-pyridin-4-ylpyridin-2-one (PubChem CID 159849015) has the molecular formula C128H145BrCl3N19O6 and a molecular weight of 2231.96 g/mol. Its IUPAC name is 3-(3-bromophenyl)-1-methyl-6-[(2R)-2-[(propan-2-ylamino)methyl]pyrrolidin-1-yl]-4-pyridin-4-ylpyridin-2-one;3-(4-chlorophenyl)-1-methyl-6-[(2S)-2-[(propan-2-ylamino)methyl]pyrrolidin-1-yl]-4-pyridin-4-ylpyridin-2-one;3-(4-chlorophenyl)-1-methyl-6-[(2R)-2-[(propan-2-ylamino)methyl]pyrrolidin-1-yl]-4-pyridin-4-ylpyridin-2-one;4-(2-chloro-4-pyridinyl)-6-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-1-methyl-3-(3-methylphenyl)pyridin-2-one;1-methyl-3-naphthalen-2-yl-6-[(2R)-2-[(propan-2-ylamino)methyl]pyrrolidin-1-yl]-4-pyridin-4-ylpyridin-2-one.

Molecular Properties

Compound Name3-(3-bromophenyl)-1-methyl-6-[(2R)-2-[(propan-2-ylamino)methyl]pyrrolidin-1-yl]-4-pyridin-4-ylpyridin-2-one;3-(4-chlorophenyl)-1-methyl-6-[(2S)-2-[(propan-2-ylamino)methyl]pyrrolidin-1-yl]-4-pyridin-4-ylpyridin-2-one;3-(4-chlorophenyl)-1-methyl-6-[(2R)-2-[(propan-2-ylamino)methyl]pyrrolidin-1-yl]-4-pyridin-4-ylpyridin-2-one;4-(2-chloro-4-pyridinyl)-6-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-1-methyl-3-(3-methylphenyl)pyridin-2-one;1-methyl-3-naphthalen-2-yl-6-[(2R)-2-[(propan-2-ylamino)methyl]pyrrolidin-1-yl]-4-pyridin-4-ylpyridin-2-one
PubChem CID159849015
Molecular FormulaC128H145BrCl3N19O6
Molecular Weight2231.96 g/mol
Exact Mass2227.99
IUPAC Name3-(3-bromophenyl)-1-methyl-6-[(2R)-2-[(propan-2-ylamino)methyl]pyrrolidin-1-yl]-4-pyridin-4-ylpyridin-2-one;3-(4-chlorophenyl)-1-methyl-6-[(2S)-2-[(propan-2-ylamino)methyl]pyrrolidin-1-yl]-4-pyridin-4-ylpyridin-2-one;3-(4-chlorophenyl)-1-methyl-6-[(2R)-2-[(propan-2-ylamino)methyl]pyrrolidin-1-yl]-4-pyridin-4-ylpyridin-2-one;4-(2-chloro-4-pyridinyl)-6-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-1-methyl-3-(3-methylphenyl)pyridin-2-one;1-methyl-3-naphthalen-2-yl-6-[(2R)-2-[(propan-2-ylamino)methyl]pyrrolidin-1-yl]-4-pyridin-4-ylpyridin-2-one
SMILESCC(C)NC[C@@H]1CCCN1c1cc(-c2ccncc2)c(-c2ccc(Cl)cc2)c(=O)n1C.CC(C)NC[C@H]1CCCN1c1cc(-c2ccncc2)c(-c2ccc(Cl)cc2)c(=O)n1C.CC(C)NC[C@H]1CCCN1c1cc(-c2ccncc2)c(-c2ccc3ccccc3c2)c(=O)n1C.CC(C)NC[C@H]1CCCN1c1cc(-c2ccncc2)c(-c2cccc(Br)c2)c(=O)n1C.COC[C@@H]1CCCN1c1cc(-c2ccnc(Cl)c2)c(-c2cccc(C)c2)c(=O)n1C
InChIInChI=1S/C29H32N4O.C25H29BrN4O.2C25H29ClN4O.C24H26ClN3O2/c1-20(2)31-19-25-9-6-16-33(25)27-18-26(22-12-14-30-15-13-22)28(29(34)32(27)3)24-11-10-21-7-4-5-8-23(21)17-24;1-17(2)28-16-21-8-5-13-30(21)23-15-22(18-9-11-27-12-10-18)24(25(31)29(23)3)19-6-4-7-20(26)14-19;2*1-17(2)28-16-21-5-4-14-30(21)23-15-22(18-10-12-27-13-11-18)24(25(31)29(23)3)19-6-8-20(26)9-7-19;1-16-6-4-7-18(12-16)23-20(17-9-10-26-21(25)13-17)14-22(27(2)24(23)29)28-11-5-8-19(28)15-30-3/h4-5,7-8,10-15,17-18,20,25,31H,6,9,16,19H2,1-3H3;4,6-7,9-12,14-15,17,21,28H,5,8,13,16H2,1-3H3;2*6-13,15,17,21,28H,4-5,14,16H2,1-3H3;4,6-7,9-10,12-14,19H,5,8,11,15H2,1-3H3/t25-;3*21-;19-/m11100/s1
InChIKeyNPRMCRAEQIJHRB-RNTYDUJISA-N
XLogP24.24
TPSA248.00 Ų
H-Bond Donors4
H-Bond Acceptors25
Rotatable Bonds29
Heavy Atoms157
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002231.96
LogP ≤ 524.24
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1025

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze 3-(3-bromophenyl)-1-methyl-6-[(2R)-2-[(propan-2-ylamino)methyl]pyrrolidin-1-yl]-4-pyridin-4-ylpyridin-2-one;3-(4-chlorophenyl)-1-methyl-6-[(2S)-2-[(propan-2-ylamino)methyl]pyrrolidin-1-yl]-4-pyridin-4-ylpyridin-2-one;3-(4-chlorophenyl)-1-methyl-6-[(2R)-2-[(propan-2-ylamino)methyl]pyrrolidin-1-yl]-4-pyridin-4-ylpyridin-2-one;4-(2-chloro-4-pyridinyl)-6-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-1-methyl-3-(3-methylphenyl)pyridin-2-one;1-methyl-3-naphthalen-2-yl-6-[(2R)-2-[(propan-2-ylamino)methyl]pyrrolidin-1-yl]-4-pyridin-4-ylpyridin-2-one with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-(3-bromophenyl)-1-methyl-6-[(2R)-2-[(propan-2-ylamino)methyl]pyrrolidin-1-yl]-4-pyridin-4-ylpyridin-2-one;3-(4-chlorophenyl)-1-methyl-6-[(2S)-2-[(propan-2-ylamino)methyl]pyrrolidin-1-yl]-4-pyridin-4-ylpyridin-2-one;3-(4-chlorophenyl)-1-methyl-6-[(2R)-2-[(propan-2-ylamino)methyl]pyrrolidin-1-yl]-4-pyridin-4-ylpyridin-2-one;4-(2-chloro-4-pyridinyl)-6-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-1-methyl-3-(3-methylphenyl)pyridin-2-one;1-methyl-3-naphthalen-2-yl-6-[(2R)-2-[(propan-2-ylamino)methyl]pyrrolidin-1-yl]-4-pyridin-4-ylpyridin-2-one?
The IUPAC name of 3-(3-bromophenyl)-1-methyl-6-[(2R)-2-[(propan-2-ylamino)methyl]pyrrolidin-1-yl]-4-pyridin-4-ylpyridin-2-one;3-(4-chlorophenyl)-1-methyl-6-[(2S)-2-[(propan-2-ylamino)methyl]pyrrolidin-1-yl]-4-pyridin-4-ylpyridin-2-one;3-(4-chlorophenyl)-1-methyl-6-[(2R)-2-[(propan-2-ylamino)methyl]pyrrolidin-1-yl]-4-pyridin-4-ylpyridin-2-one;4-(2-chloro-4-pyridinyl)-6-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-1-methyl-3-(3-methylphenyl)pyridin-2-one;1-methyl-3-naphthalen-2-yl-6-[(2R)-2-[(propan-2-ylamino)methyl]pyrrolidin-1-yl]-4-pyridin-4-ylpyridin-2-one (CID 159849015) is 3-(3-bromophenyl)-1-methyl-6-[(2R)-2-[(propan-2-ylamino)methyl]pyrrolidin-1-yl]-4-pyridin-4-ylpyridin-2-one;3-(4-chlorophenyl)-1-methyl-6-[(2S)-2-[(propan-2-ylamino)methyl]pyrrolidin-1-yl]-4-pyridin-4-ylpyridin-2-one;3-(4-chlorophenyl)-1-methyl-6-[(2R)-2-[(propan-2-ylamino)methyl]pyrrolidin-1-yl]-4-pyridin-4-ylpyridin-2-one;4-(2-chloro-4-pyridinyl)-6-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-1-methyl-3-(3-methylphenyl)pyridin-2-one;1-methyl-3-naphthalen-2-yl-6-[(2R)-2-[(propan-2-ylamino)methyl]pyrrolidin-1-yl]-4-pyridin-4-ylpyridin-2-one.
What is the SMILES notation for 3-(3-bromophenyl)-1-methyl-6-[(2R)-2-[(propan-2-ylamino)methyl]pyrrolidin-1-yl]-4-pyridin-4-ylpyridin-2-one;3-(4-chlorophenyl)-1-methyl-6-[(2S)-2-[(propan-2-ylamino)methyl]pyrrolidin-1-yl]-4-pyridin-4-ylpyridin-2-one;3-(4-chlorophenyl)-1-methyl-6-[(2R)-2-[(propan-2-ylamino)methyl]pyrrolidin-1-yl]-4-pyridin-4-ylpyridin-2-one;4-(2-chloro-4-pyridinyl)-6-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-1-methyl-3-(3-methylphenyl)pyridin-2-one;1-methyl-3-naphthalen-2-yl-6-[(2R)-2-[(propan-2-ylamino)methyl]pyrrolidin-1-yl]-4-pyridin-4-ylpyridin-2-one?
The canonical SMILES for 3-(3-bromophenyl)-1-methyl-6-[(2R)-2-[(propan-2-ylamino)methyl]pyrrolidin-1-yl]-4-pyridin-4-ylpyridin-2-one;3-(4-chlorophenyl)-1-methyl-6-[(2S)-2-[(propan-2-ylamino)methyl]pyrrolidin-1-yl]-4-pyridin-4-ylpyridin-2-one;3-(4-chlorophenyl)-1-methyl-6-[(2R)-2-[(propan-2-ylamino)methyl]pyrrolidin-1-yl]-4-pyridin-4-ylpyridin-2-one;4-(2-chloro-4-pyridinyl)-6-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-1-methyl-3-(3-methylphenyl)pyridin-2-one;1-methyl-3-naphthalen-2-yl-6-[(2R)-2-[(propan-2-ylamino)methyl]pyrrolidin-1-yl]-4-pyridin-4-ylpyridin-2-one is CC(C)NC[C@@H]1CCCN1c1cc(-c2ccncc2)c(-c2ccc(Cl)cc2)c(=O)n1C.CC(C)NC[C@H]1CCCN1c1cc(-c2ccncc2)c(-c2ccc(Cl)cc2)c(=O)n1C.CC(C)NC[C@H]1CCCN1c1cc(-c2ccncc2)c(-c2ccc3ccccc3c2)c(=O)n1C.CC(C)NC[C@H]1CCCN1c1cc(-c2ccncc2)c(-c2cccc(Br)c2)c(=O)n1C.COC[C@@H]1CCCN1c1cc(-c2ccnc(Cl)c2)c(-c2cccc(C)c2)c(=O)n1C.
What is the InChIKey of 3-(3-bromophenyl)-1-methyl-6-[(2R)-2-[(propan-2-ylamino)methyl]pyrrolidin-1-yl]-4-pyridin-4-ylpyridin-2-one;3-(4-chlorophenyl)-1-methyl-6-[(2S)-2-[(propan-2-ylamino)methyl]pyrrolidin-1-yl]-4-pyridin-4-ylpyridin-2-one;3-(4-chlorophenyl)-1-methyl-6-[(2R)-2-[(propan-2-ylamino)methyl]pyrrolidin-1-yl]-4-pyridin-4-ylpyridin-2-one;4-(2-chloro-4-pyridinyl)-6-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-1-methyl-3-(3-methylphenyl)pyridin-2-one;1-methyl-3-naphthalen-2-yl-6-[(2R)-2-[(propan-2-ylamino)methyl]pyrrolidin-1-yl]-4-pyridin-4-ylpyridin-2-one?
The InChIKey is NPRMCRAEQIJHRB-RNTYDUJISA-N. The full InChI is InChI=1S/C29H32N4O.C25H29BrN4O.2C25H29ClN4O.C24H26ClN3O2/c1-20(2)31-19-25-9-6-16-33(25)27-18-26(22-12-14-30-15-13-22)28(29(34)32(27)3)24-11-10-21-7-4-5-8-23(21)17-24;1-17(2)28-16-21-8-5-13-30(21)23-15-22(18-9-11-27-12-10-18)24(25(31)29(23)3)19-6-4-7-20(26)14-19;2*1-17(2)28-16-21-5-4-14-30(21)23-15-22(18-10-12-27-13-11-18)24(25(31)29(23)3)19-6-8-20(26)9-7-19;1-16-6-4-7-18(12-16)23-20(17-9-10-26-21(25)13-17)14-22(27(2)24(23)29)28-11-5-8-19(28)15-30-3/h4-5,7-8,10-15,17-18,20,25,31H,6,9,16,19H2,1-3H3;4,6-7,9-12,14-15,17,21,28H,5,8,13,16H2,1-3H3;2*6-13,15,17,21,28H,4-5,14,16H2,1-3H3;4,6-7,9-10,12-14,19H,5,8,11,15H2,1-3H3/t25-;3*21-;19-/m11100/s1.
What are the key properties of 3-(3-bromophenyl)-1-methyl-6-[(2R)-2-[(propan-2-ylamino)methyl]pyrrolidin-1-yl]-4-pyridin-4-ylpyridin-2-one;3-(4-chlorophenyl)-1-methyl-6-[(2S)-2-[(propan-2-ylamino)methyl]pyrrolidin-1-yl]-4-pyridin-4-ylpyridin-2-one;3-(4-chlorophenyl)-1-methyl-6-[(2R)-2-[(propan-2-ylamino)methyl]pyrrolidin-1-yl]-4-pyridin-4-ylpyridin-2-one;4-(2-chloro-4-pyridinyl)-6-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-1-methyl-3-(3-methylphenyl)pyridin-2-one;1-methyl-3-naphthalen-2-yl-6-[(2R)-2-[(propan-2-ylamino)methyl]pyrrolidin-1-yl]-4-pyridin-4-ylpyridin-2-one?
3-(3-bromophenyl)-1-methyl-6-[(2R)-2-[(propan-2-ylamino)methyl]pyrrolidin-1-yl]-4-pyridin-4-ylpyridin-2-one;3-(4-chlorophenyl)-1-methyl-6-[(2S)-2-[(propan-2-ylamino)methyl]pyrrolidin-1-yl]-4-pyridin-4-ylpyridin-2-one;3-(4-chlorophenyl)-1-methyl-6-[(2R)-2-[(propan-2-ylamino)methyl]pyrrolidin-1-yl]-4-pyridin-4-ylpyridin-2-one;4-(2-chloro-4-pyridinyl)-6-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-1-methyl-3-(3-methylphenyl)pyridin-2-one;1-methyl-3-naphthalen-2-yl-6-[(2R)-2-[(propan-2-ylamino)methyl]pyrrolidin-1-yl]-4-pyridin-4-ylpyridin-2-one has a molecular weight of 2231.96 g/mol, XLogP of 24.24, 29 rotatable bonds, 4 hydrogen bond donors, and 25 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-bromophenyl)-1-methyl-6-[(2R)-2-[(propan-2-ylamino)methyl]pyrrolidin-1-yl]-4-pyridin-4-ylpyridin-2-one;3-(4-chlorophenyl)-1-methyl-6-[(2S)-2-[(propan-2-ylamino)methyl]pyrrolidin-1-yl]-4-pyridin-4-ylpyridin-2-one;3-(4-chlorophenyl)-1-methyl-6-[(2R)-2-[(propan-2-ylamino)methyl]pyrrolidin-1-yl]-4-pyridin-4-ylpyridin-2-one;4-(2-chloro-4-pyridinyl)-6-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-1-methyl-3-(3-methylphenyl)pyridin-2-one;1-methyl-3-naphthalen-2-yl-6-[(2R)-2-[(propan-2-ylamino)methyl]pyrrolidin-1-yl]-4-pyridin-4-ylpyridin-2-one is sourced from PubChem (CID 159849015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).