5-chloro-3-(2-methylpropyl)-1-(2-methylpyrimidin-4-yl)pyridin-2-one;1-(2,5-dimethylpyrazol-3-yl)-3-(2-methylpropyl)pyridin-2-one;2-[(3S)-3-methoxypyrrolidin-1-yl]-6-methyl-4-(2-methylpropyl)pyridine;(3S)-1-[6-methyl-4-(2-methylpropyl)-2-pyridinyl]piperidin-3-ol;2-methyl-4-(2-methylpropyl)-6-pyrrolidin-1-ylpyridine;1-(2-methyl-1,3-oxazol-5-yl)-3-(2-methylpropyl)pyridin-2-one;3-(2-methylpropyl)-1-(6-methyl-3-pyridinyl)pyridin-2-one;3-(2-methylpropyl)-1-(2-methylpyrimidin-4-yl)pyridin-2-one

C114H156ClN19O8 — CID 163786662

IUPAC5-chloro-3-(2-methylpropyl)-1-(2-methylpyrimidin-4-yl)pyridin-2-one;1-(2,5-dimethylpyrazol-3-yl)-3-(2-methylpropyl)pyridin-2-one;2-[(3S)-3-methoxypyrrolidin-1-yl]-6-methyl-4-(2-methylpropyl)pyridine;(3S)-1-[6-methyl-4-(2-methylpropyl)-2-pyridinyl]piperidin-3-ol;2-methyl-4-(2-methylpropyl)-6-pyrrolidin-1-ylpyridine;1-(2-methyl-1,3-oxazol-5-yl)-3-(2-methylpropyl)pyridin-2-one;3-(2-methylpropyl)-1-(6-methyl-3-pyridinyl)pyridin-2-one;3-(2-methylpropyl)-1-(2-methylpyrimidin-4-yl)pyridin-2-one
SMILESCO[C@H]1CCN(c2cc(CC(C)C)cc(C)n2)C1.Cc1cc(-n2cccc(CC(C)C)c2=O)n(C)n1.Cc1cc(CC(C)C)cc(N2CCCC2)n1.Cc1cc(CC(C)C)cc(N2CCC[C@H](O)C2)n1.Cc1ccc(-n2cccc(CC(C)C)c2=O)cn1.Cc1ncc(-n2cccc(CC(C)C)c2=O)o1.Cc1nccc(-n2cc(Cl)cc(CC(C)C)c2=O)n1.Cc1nccc(-n2cccc(CC(C)C)c2=O)n1
InChIInChI=1S/C15H24N2O.C15H18N2O.C15H24N2O.C14H16ClN3O.C14H19N3O.C14H17N3O.C14H22N2.C13H16N2O2/c1-11(2)7-13-8-12(3)16-15(9-13)17-6-5-14(10-17)18-4;1-11(2)9-13-5-4-8-17(15(13)18)14-7-6-12(3)16-10-14;1-11(2)7-13-8-12(3)16-15(9-13)17-6-4-5-14(18)10-17;1-9(2)6-11-7-12(15)8-18(14(11)19)13-4-5-16-10(3)17-13;1-10(2)8-12-6-5-7-17(14(12)18)13-9-11(3)15-16(13)4;1-10(2)9-12-5-4-8-17(14(12)18)13-6-7-15-11(3)16-13;1-11(2)8-13-9-12(3)15-14(10-13)16-6-4-5-7-16;1-9(2)7-11-5-4-6-15(13(11)16)12-8-14-10(3)17-12/h8-9,11,14H,5-7,10H2,1-4H3;4-8,10-11H,9H2,1-3H3;8-9,11,14,18H,4-7,10H2,1-3H3;4-5,7-9H,6H2,1-3H3;5-7,9-10H,8H2,1-4H3;4-8,10H,9H2,1-3H3;9-11H,4-8H2,1-3H3;4-6,8-9H,7H2,1-3H3/t14-;;14-;;;;;/m0.0...../s1
InChIKeyMTDPIIDACPURKZ-ZCFMFHFBSA-N
MW1956.08 g/mol
LogP20.62
Rot. Bonds25

About 5-chloro-3-(2-methylpropyl)-1-(2-methylpyrimidin-4-yl)pyridin-2-one;1-(2,5-dimethylpyrazol-3-yl)-3-(2-methylpropyl)pyridin-2-one;2-[(3S)-3-methoxypyrrolidin-1-yl]-6-methyl-4-(2-methylpropyl)pyridine;(3S)-1-[6-methyl-4-(2-methylpropyl)-2-pyridinyl]piperidin-3-ol;2-methyl-4-(2-methylpropyl)-6-pyrrolidin-1-ylpyridine;1-(2-methyl-1,3-oxazol-5-yl)-3-(2-methylpropyl)pyridin-2-one;3-(2-methylpropyl)-1-(6-methyl-3-pyridinyl)pyridin-2-one;3-(2-methylpropyl)-1-(2-methylpyrimidin-4-yl)pyridin-2-one

5-chloro-3-(2-methylpropyl)-1-(2-methylpyrimidin-4-yl)pyridin-2-one;1-(2,5-dimethylpyrazol-3-yl)-3-(2-methylpropyl)pyridin-2-one;2-[(3S)-3-methoxypyrrolidin-1-yl]-6-methyl-4-(2-methylpropyl)pyridine;(3S)-1-[6-methyl-4-(2-methylpropyl)-2-pyridinyl]piperidin-3-ol;2-methyl-4-(2-methylpropyl)-6-pyrrolidin-1-ylpyridine;1-(2-methyl-1,3-oxazol-5-yl)-3-(2-methylpropyl)pyridin-2-one;3-(2-methylpropyl)-1-(6-methyl-3-pyridinyl)pyridin-2-one;3-(2-methylpropyl)-1-(2-methylpyrimidin-4-yl)pyridin-2-one (PubChem CID 163786662) has the molecular formula C114H156ClN19O8 and a molecular weight of 1956.08 g/mol. Its IUPAC name is 5-chloro-3-(2-methylpropyl)-1-(2-methylpyrimidin-4-yl)pyridin-2-one;1-(2,5-dimethylpyrazol-3-yl)-3-(2-methylpropyl)pyridin-2-one;2-[(3S)-3-methoxypyrrolidin-1-yl]-6-methyl-4-(2-methylpropyl)pyridine;(3S)-1-[6-methyl-4-(2-methylpropyl)-2-pyridinyl]piperidin-3-ol;2-methyl-4-(2-methylpropyl)-6-pyrrolidin-1-ylpyridine;1-(2-methyl-1,3-oxazol-5-yl)-3-(2-methylpropyl)pyridin-2-one;3-(2-methylpropyl)-1-(6-methyl-3-pyridinyl)pyridin-2-one;3-(2-methylpropyl)-1-(2-methylpyrimidin-4-yl)pyridin-2-one.

Molecular Properties

Compound Name5-chloro-3-(2-methylpropyl)-1-(2-methylpyrimidin-4-yl)pyridin-2-one;1-(2,5-dimethylpyrazol-3-yl)-3-(2-methylpropyl)pyridin-2-one;2-[(3S)-3-methoxypyrrolidin-1-yl]-6-methyl-4-(2-methylpropyl)pyridine;(3S)-1-[6-methyl-4-(2-methylpropyl)-2-pyridinyl]piperidin-3-ol;2-methyl-4-(2-methylpropyl)-6-pyrrolidin-1-ylpyridine;1-(2-methyl-1,3-oxazol-5-yl)-3-(2-methylpropyl)pyridin-2-one;3-(2-methylpropyl)-1-(6-methyl-3-pyridinyl)pyridin-2-one;3-(2-methylpropyl)-1-(2-methylpyrimidin-4-yl)pyridin-2-one
PubChem CID163786662
Molecular FormulaC114H156ClN19O8
Molecular Weight1956.08 g/mol
Exact Mass1954.21
IUPAC Name5-chloro-3-(2-methylpropyl)-1-(2-methylpyrimidin-4-yl)pyridin-2-one;1-(2,5-dimethylpyrazol-3-yl)-3-(2-methylpropyl)pyridin-2-one;2-[(3S)-3-methoxypyrrolidin-1-yl]-6-methyl-4-(2-methylpropyl)pyridine;(3S)-1-[6-methyl-4-(2-methylpropyl)-2-pyridinyl]piperidin-3-ol;2-methyl-4-(2-methylpropyl)-6-pyrrolidin-1-ylpyridine;1-(2-methyl-1,3-oxazol-5-yl)-3-(2-methylpropyl)pyridin-2-one;3-(2-methylpropyl)-1-(6-methyl-3-pyridinyl)pyridin-2-one;3-(2-methylpropyl)-1-(2-methylpyrimidin-4-yl)pyridin-2-one
SMILESCO[C@H]1CCN(c2cc(CC(C)C)cc(C)n2)C1.Cc1cc(-n2cccc(CC(C)C)c2=O)n(C)n1.Cc1cc(CC(C)C)cc(N2CCCC2)n1.Cc1cc(CC(C)C)cc(N2CCC[C@H](O)C2)n1.Cc1ccc(-n2cccc(CC(C)C)c2=O)cn1.Cc1ncc(-n2cccc(CC(C)C)c2=O)o1.Cc1nccc(-n2cc(Cl)cc(CC(C)C)c2=O)n1.Cc1nccc(-n2cccc(CC(C)C)c2=O)n1
InChIInChI=1S/C15H24N2O.C15H18N2O.C15H24N2O.C14H16ClN3O.C14H19N3O.C14H17N3O.C14H22N2.C13H16N2O2/c1-11(2)7-13-8-12(3)16-15(9-13)17-6-5-14(10-17)18-4;1-11(2)9-13-5-4-8-17(15(13)18)14-7-6-12(3)16-10-14;1-11(2)7-13-8-12(3)16-15(9-13)17-6-4-5-14(18)10-17;1-9(2)6-11-7-12(15)8-18(14(11)19)13-4-5-16-10(3)17-13;1-10(2)8-12-6-5-7-17(14(12)18)13-9-11(3)15-16(13)4;1-10(2)9-12-5-4-8-17(14(12)18)13-6-7-15-11(3)16-13;1-11(2)8-13-9-12(3)15-14(10-13)16-6-4-5-7-16;1-9(2)7-11-5-4-6-15(13(11)16)12-8-14-10(3)17-12/h8-9,11,14H,5-7,10H2,1-4H3;4-8,10-11H,9H2,1-3H3;8-9,11,14,18H,4-7,10H2,1-3H3;4-5,7-9H,6H2,1-3H3;5-7,9-10H,8H2,1-4H3;4-8,10H,9H2,1-3H3;9-11H,4-8H2,1-3H3;4-6,8-9H,7H2,1-3H3/t14-;;14-;;;;;/m0.0...../s1
InChIKeyMTDPIIDACPURKZ-ZCFMFHFBSA-N
XLogP20.62
TPSA296.15 Ų
H-Bond Donors1
H-Bond Acceptors27
Rotatable Bonds25
Heavy Atoms142
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001956.08
LogP ≤ 520.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1027

Analyze 5-chloro-3-(2-methylpropyl)-1-(2-methylpyrimidin-4-yl)pyridin-2-one;1-(2,5-dimethylpyrazol-3-yl)-3-(2-methylpropyl)pyridin-2-one;2-[(3S)-3-methoxypyrrolidin-1-yl]-6-methyl-4-(2-methylpropyl)pyridine;(3S)-1-[6-methyl-4-(2-methylpropyl)-2-pyridinyl]piperidin-3-ol;2-methyl-4-(2-methylpropyl)-6-pyrrolidin-1-ylpyridine;1-(2-methyl-1,3-oxazol-5-yl)-3-(2-methylpropyl)pyridin-2-one;3-(2-methylpropyl)-1-(6-methyl-3-pyridinyl)pyridin-2-one;3-(2-methylpropyl)-1-(2-methylpyrimidin-4-yl)pyridin-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 5-chloro-3-(2-methylpropyl)-1-(2-methylpyrimidin-4-yl)pyridin-2-one;1-(2,5-dimethylpyrazol-3-yl)-3-(2-methylpropyl)pyridin-2-one;2-[(3S)-3-methoxypyrrolidin-1-yl]-6-methyl-4-(2-methylpropyl)pyridine;(3S)-1-[6-methyl-4-(2-methylpropyl)-2-pyridinyl]piperidin-3-ol;2-methyl-4-(2-methylpropyl)-6-pyrrolidin-1-ylpyridine;1-(2-methyl-1,3-oxazol-5-yl)-3-(2-methylpropyl)pyridin-2-one;3-(2-methylpropyl)-1-(6-methyl-3-pyridinyl)pyridin-2-one;3-(2-methylpropyl)-1-(2-methylpyrimidin-4-yl)pyridin-2-one?
The IUPAC name of 5-chloro-3-(2-methylpropyl)-1-(2-methylpyrimidin-4-yl)pyridin-2-one;1-(2,5-dimethylpyrazol-3-yl)-3-(2-methylpropyl)pyridin-2-one;2-[(3S)-3-methoxypyrrolidin-1-yl]-6-methyl-4-(2-methylpropyl)pyridine;(3S)-1-[6-methyl-4-(2-methylpropyl)-2-pyridinyl]piperidin-3-ol;2-methyl-4-(2-methylpropyl)-6-pyrrolidin-1-ylpyridine;1-(2-methyl-1,3-oxazol-5-yl)-3-(2-methylpropyl)pyridin-2-one;3-(2-methylpropyl)-1-(6-methyl-3-pyridinyl)pyridin-2-one;3-(2-methylpropyl)-1-(2-methylpyrimidin-4-yl)pyridin-2-one (CID 163786662) is 5-chloro-3-(2-methylpropyl)-1-(2-methylpyrimidin-4-yl)pyridin-2-one;1-(2,5-dimethylpyrazol-3-yl)-3-(2-methylpropyl)pyridin-2-one;2-[(3S)-3-methoxypyrrolidin-1-yl]-6-methyl-4-(2-methylpropyl)pyridine;(3S)-1-[6-methyl-4-(2-methylpropyl)-2-pyridinyl]piperidin-3-ol;2-methyl-4-(2-methylpropyl)-6-pyrrolidin-1-ylpyridine;1-(2-methyl-1,3-oxazol-5-yl)-3-(2-methylpropyl)pyridin-2-one;3-(2-methylpropyl)-1-(6-methyl-3-pyridinyl)pyridin-2-one;3-(2-methylpropyl)-1-(2-methylpyrimidin-4-yl)pyridin-2-one.
What is the SMILES notation for 5-chloro-3-(2-methylpropyl)-1-(2-methylpyrimidin-4-yl)pyridin-2-one;1-(2,5-dimethylpyrazol-3-yl)-3-(2-methylpropyl)pyridin-2-one;2-[(3S)-3-methoxypyrrolidin-1-yl]-6-methyl-4-(2-methylpropyl)pyridine;(3S)-1-[6-methyl-4-(2-methylpropyl)-2-pyridinyl]piperidin-3-ol;2-methyl-4-(2-methylpropyl)-6-pyrrolidin-1-ylpyridine;1-(2-methyl-1,3-oxazol-5-yl)-3-(2-methylpropyl)pyridin-2-one;3-(2-methylpropyl)-1-(6-methyl-3-pyridinyl)pyridin-2-one;3-(2-methylpropyl)-1-(2-methylpyrimidin-4-yl)pyridin-2-one?
The canonical SMILES for 5-chloro-3-(2-methylpropyl)-1-(2-methylpyrimidin-4-yl)pyridin-2-one;1-(2,5-dimethylpyrazol-3-yl)-3-(2-methylpropyl)pyridin-2-one;2-[(3S)-3-methoxypyrrolidin-1-yl]-6-methyl-4-(2-methylpropyl)pyridine;(3S)-1-[6-methyl-4-(2-methylpropyl)-2-pyridinyl]piperidin-3-ol;2-methyl-4-(2-methylpropyl)-6-pyrrolidin-1-ylpyridine;1-(2-methyl-1,3-oxazol-5-yl)-3-(2-methylpropyl)pyridin-2-one;3-(2-methylpropyl)-1-(6-methyl-3-pyridinyl)pyridin-2-one;3-(2-methylpropyl)-1-(2-methylpyrimidin-4-yl)pyridin-2-one is CO[C@H]1CCN(c2cc(CC(C)C)cc(C)n2)C1.Cc1cc(-n2cccc(CC(C)C)c2=O)n(C)n1.Cc1cc(CC(C)C)cc(N2CCCC2)n1.Cc1cc(CC(C)C)cc(N2CCC[C@H](O)C2)n1.Cc1ccc(-n2cccc(CC(C)C)c2=O)cn1.Cc1ncc(-n2cccc(CC(C)C)c2=O)o1.Cc1nccc(-n2cc(Cl)cc(CC(C)C)c2=O)n1.Cc1nccc(-n2cccc(CC(C)C)c2=O)n1.
What is the InChIKey of 5-chloro-3-(2-methylpropyl)-1-(2-methylpyrimidin-4-yl)pyridin-2-one;1-(2,5-dimethylpyrazol-3-yl)-3-(2-methylpropyl)pyridin-2-one;2-[(3S)-3-methoxypyrrolidin-1-yl]-6-methyl-4-(2-methylpropyl)pyridine;(3S)-1-[6-methyl-4-(2-methylpropyl)-2-pyridinyl]piperidin-3-ol;2-methyl-4-(2-methylpropyl)-6-pyrrolidin-1-ylpyridine;1-(2-methyl-1,3-oxazol-5-yl)-3-(2-methylpropyl)pyridin-2-one;3-(2-methylpropyl)-1-(6-methyl-3-pyridinyl)pyridin-2-one;3-(2-methylpropyl)-1-(2-methylpyrimidin-4-yl)pyridin-2-one?
The InChIKey is MTDPIIDACPURKZ-ZCFMFHFBSA-N. The full InChI is InChI=1S/C15H24N2O.C15H18N2O.C15H24N2O.C14H16ClN3O.C14H19N3O.C14H17N3O.C14H22N2.C13H16N2O2/c1-11(2)7-13-8-12(3)16-15(9-13)17-6-5-14(10-17)18-4;1-11(2)9-13-5-4-8-17(15(13)18)14-7-6-12(3)16-10-14;1-11(2)7-13-8-12(3)16-15(9-13)17-6-4-5-14(18)10-17;1-9(2)6-11-7-12(15)8-18(14(11)19)13-4-5-16-10(3)17-13;1-10(2)8-12-6-5-7-17(14(12)18)13-9-11(3)15-16(13)4;1-10(2)9-12-5-4-8-17(14(12)18)13-6-7-15-11(3)16-13;1-11(2)8-13-9-12(3)15-14(10-13)16-6-4-5-7-16;1-9(2)7-11-5-4-6-15(13(11)16)12-8-14-10(3)17-12/h8-9,11,14H,5-7,10H2,1-4H3;4-8,10-11H,9H2,1-3H3;8-9,11,14,18H,4-7,10H2,1-3H3;4-5,7-9H,6H2,1-3H3;5-7,9-10H,8H2,1-4H3;4-8,10H,9H2,1-3H3;9-11H,4-8H2,1-3H3;4-6,8-9H,7H2,1-3H3/t14-;;14-;;;;;/m0.0...../s1.
What are the key properties of 5-chloro-3-(2-methylpropyl)-1-(2-methylpyrimidin-4-yl)pyridin-2-one;1-(2,5-dimethylpyrazol-3-yl)-3-(2-methylpropyl)pyridin-2-one;2-[(3S)-3-methoxypyrrolidin-1-yl]-6-methyl-4-(2-methylpropyl)pyridine;(3S)-1-[6-methyl-4-(2-methylpropyl)-2-pyridinyl]piperidin-3-ol;2-methyl-4-(2-methylpropyl)-6-pyrrolidin-1-ylpyridine;1-(2-methyl-1,3-oxazol-5-yl)-3-(2-methylpropyl)pyridin-2-one;3-(2-methylpropyl)-1-(6-methyl-3-pyridinyl)pyridin-2-one;3-(2-methylpropyl)-1-(2-methylpyrimidin-4-yl)pyridin-2-one?
5-chloro-3-(2-methylpropyl)-1-(2-methylpyrimidin-4-yl)pyridin-2-one;1-(2,5-dimethylpyrazol-3-yl)-3-(2-methylpropyl)pyridin-2-one;2-[(3S)-3-methoxypyrrolidin-1-yl]-6-methyl-4-(2-methylpropyl)pyridine;(3S)-1-[6-methyl-4-(2-methylpropyl)-2-pyridinyl]piperidin-3-ol;2-methyl-4-(2-methylpropyl)-6-pyrrolidin-1-ylpyridine;1-(2-methyl-1,3-oxazol-5-yl)-3-(2-methylpropyl)pyridin-2-one;3-(2-methylpropyl)-1-(6-methyl-3-pyridinyl)pyridin-2-one;3-(2-methylpropyl)-1-(2-methylpyrimidin-4-yl)pyridin-2-one has a molecular weight of 1956.08 g/mol, XLogP of 20.62, 25 rotatable bonds, 1 hydrogen bond donors, and 27 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-3-(2-methylpropyl)-1-(2-methylpyrimidin-4-yl)pyridin-2-one;1-(2,5-dimethylpyrazol-3-yl)-3-(2-methylpropyl)pyridin-2-one;2-[(3S)-3-methoxypyrrolidin-1-yl]-6-methyl-4-(2-methylpropyl)pyridine;(3S)-1-[6-methyl-4-(2-methylpropyl)-2-pyridinyl]piperidin-3-ol;2-methyl-4-(2-methylpropyl)-6-pyrrolidin-1-ylpyridine;1-(2-methyl-1,3-oxazol-5-yl)-3-(2-methylpropyl)pyridin-2-one;3-(2-methylpropyl)-1-(6-methyl-3-pyridinyl)pyridin-2-one;3-(2-methylpropyl)-1-(2-methylpyrimidin-4-yl)pyridin-2-one is sourced from PubChem (CID 163786662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).