3-[(1-acetylpiperidin-4-yl)methyl]-2-amino-5-[3-(5-chloro-2-methoxy-3-pyridinyl)phenyl]-5-methylimidazol-4-one;2-amino-5-[3-(3-chlorophenyl)phenyl]-5-cyclopropyl-3-(pyridin-3-ylmethyl)imidazol-4-one;N-[(1R,3S)-3-[[(4R)-2-amino-4-(2-cyclohexylethyl)-1-methyl-5-oxoimidazol-4-yl]methyl]cyclohexyl]-6-oxo-1H-pyridine-3-carboxamide

C73H86Cl2N14O7 — CID 162131838

About 3-[(1-acetylpiperidin-4-yl)methyl]-2-amino-5-[3-(5-chloro-2-methoxy-3-pyridinyl)phenyl]-5-methylimidazol-4-one;2-amino-5-[3-(3-chlorophenyl)phenyl]-5-cyclopropyl-3-(pyridin-3-ylmethyl)imidazol-4-one;N-[(1R,3S)-3-[[(4R)-2-amino-4-(2-cyclohexylethyl)-1-methyl-5-oxoimidazol-4-yl]methyl]cyclohexyl]-6-oxo-1H-pyridine-3-carboxamide

3-[(1-acetylpiperidin-4-yl)methyl]-2-amino-5-[3-(5-chloro-2-methoxy-3-pyridinyl)phenyl]-5-methylimidazol-4-one;2-amino-5-[3-(3-chlorophenyl)phenyl]-5-cyclopropyl-3-(pyridin-3-ylmethyl)imidazol-4-one;N-[(1R,3S)-3-[[(4R)-2-amino-4-(2-cyclohexylethyl)-1-methyl-5-oxoimidazol-4-yl]methyl]cyclohexyl]-6-oxo-1H-pyridine-3-carboxamide (PubChem CID 162131838) has the molecular formula C73H86Cl2N14O7 and a molecular weight of 1342.49 g/mol. Its IUPAC name is 3-[(1-acetylpiperidin-4-yl)methyl]-2-amino-5-[3-(5-chloro-2-methoxy-3-pyridinyl)phenyl]-5-methylimidazol-4-one;2-amino-5-[3-(3-chlorophenyl)phenyl]-5-cyclopropyl-3-(pyridin-3-ylmethyl)imidazol-4-one;N-[(1R,3S)-3-[[(4R)-2-amino-4-(2-cyclohexylethyl)-1-methyl-5-oxoimidazol-4-yl]methyl]cyclohexyl]-6-oxo-1H-pyridine-3-carboxamide.

Molecular Properties

• Compound Name: 3-[(1-acetylpiperidin-4-yl)methyl]-2-amino-5-[3-(5-chloro-2-methoxy-3-pyridinyl)phenyl]-5-methylimidazol-4-one;2-amino-5-[3-(3-chlorophenyl)phenyl]-5-cyclopropyl-3-(pyridin-3-ylmethyl)imidazol-4-one;N-[(1R,3S)-3-[[(4R)-2-amino-4-(2-cyclohexylethyl)-1-methyl-5-oxoimidazol-4-yl]methyl]cyclohexyl]-6-oxo-1H-pyridine-3-carboxamide
• PubChem CID: 162131838
• Molecular Formula: C73H86Cl2N14O7
• Molecular Weight: 1342.49 g/mol
• Exact Mass: 1340.62
• IUPAC Name: 3-[(1-acetylpiperidin-4-yl)methyl]-2-amino-5-[3-(5-chloro-2-methoxy-3-pyridinyl)phenyl]-5-methylimidazol-4-one;2-amino-5-[3-(3-chlorophenyl)phenyl]-5-cyclopropyl-3-(pyridin-3-ylmethyl)imidazol-4-one;N-[(1R,3S)-3-[[(4R)-2-amino-4-(2-cyclohexylethyl)-1-methyl-5-oxoimidazol-4-yl]methyl]cyclohexyl]-6-oxo-1H-pyridine-3-carboxamide
• SMILES: CN1C(=O)[C@@](CCC2CCCCC2)(C[C@H]2CCC[C@@H](NC(=O)c3ccc(=O)[nH]c3)C2)N=C1N.COc1ncc(Cl)cc1-c1cccc(C2(C)N=C(N)N(CC3CCN(C(C)=O)CC3)C2=O)c1.NC1=NC(c2cccc(-c3cccc(Cl)c3)c2)(C2CC2)C(=O)N1Cc1cccnc1
• InChI: InChI=1S/C25H37N5O3.C24H28ClN5O3.C24H21ClN4O/c1-30-23(33)25(29-24(30)26,13-12-17-6-3-2-4-7-17)15-18-8-5-9-20(14-18)28-22(32)19-10-11-21(31)27-16-19;1-15(31)29-9-7-16(8-10-29)14-30-22(32)24(2,28-23(30)26)18-6-4-5-17(11-18)20-12-19(25)13-27-21(20)33-3;25-21-8-2-6-18(13-21)17-5-1-7-20(12-17)24(19-9-10-19)22(30)29(23(26)28-24)15-16-4-3-11-27-14-16/h10-11,16-18,20H,2-9,12-15H2,1H3,(H2,26,29)(H,27,31)(H,28,32);4-6,11-13,16H,7-10,14H2,1-3H3,(H2,26,28);1-8,11-14,19H,9-10,15H2,(H2,26,28)/t18-,20+,25+;;/m0../s1
• InChIKey: ZITNXRXQMMFNSA-DVFWFSLZSA-N
• XLogP: 10.35
• TPSA: 293.35 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 15
• Rotatable Bonds: 17
• Heavy Atoms: 96
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1342.49
LogP ≤ 5	10.35
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	15

Frequently Asked Questions

What is the IUPAC name of 3-[(1-acetylpiperidin-4-yl)methyl]-2-amino-5-[3-(5-chloro-2-methoxy-3-pyridinyl)phenyl]-5-methylimidazol-4-one;2-amino-5-[3-(3-chlorophenyl)phenyl]-5-cyclopropyl-3-(pyridin-3-ylmethyl)imidazol-4-one;N-[(1R,3S)-3-[[(4R)-2-amino-4-(2-cyclohexylethyl)-1-methyl-5-oxoimidazol-4-yl]methyl]cyclohexyl]-6-oxo-1H-pyridine-3-carboxamide?

The IUPAC name of 3-[(1-acetylpiperidin-4-yl)methyl]-2-amino-5-[3-(5-chloro-2-methoxy-3-pyridinyl)phenyl]-5-methylimidazol-4-one;2-amino-5-[3-(3-chlorophenyl)phenyl]-5-cyclopropyl-3-(pyridin-3-ylmethyl)imidazol-4-one;N-[(1R,3S)-3-[[(4R)-2-amino-4-(2-cyclohexylethyl)-1-methyl-5-oxoimidazol-4-yl]methyl]cyclohexyl]-6-oxo-1H-pyridine-3-carboxamide (CID 162131838) is 3-[(1-acetylpiperidin-4-yl)methyl]-2-amino-5-[3-(5-chloro-2-methoxy-3-pyridinyl)phenyl]-5-methylimidazol-4-one;2-amino-5-[3-(3-chlorophenyl)phenyl]-5-cyclopropyl-3-(pyridin-3-ylmethyl)imidazol-4-one;N-[(1R,3S)-3-[[(4R)-2-amino-4-(2-cyclohexylethyl)-1-methyl-5-oxoimidazol-4-yl]methyl]cyclohexyl]-6-oxo-1H-pyridine-3-carboxamide.

What is the SMILES notation for 3-[(1-acetylpiperidin-4-yl)methyl]-2-amino-5-[3-(5-chloro-2-methoxy-3-pyridinyl)phenyl]-5-methylimidazol-4-one;2-amino-5-[3-(3-chlorophenyl)phenyl]-5-cyclopropyl-3-(pyridin-3-ylmethyl)imidazol-4-one;N-[(1R,3S)-3-[[(4R)-2-amino-4-(2-cyclohexylethyl)-1-methyl-5-oxoimidazol-4-yl]methyl]cyclohexyl]-6-oxo-1H-pyridine-3-carboxamide?

The canonical SMILES for 3-[(1-acetylpiperidin-4-yl)methyl]-2-amino-5-[3-(5-chloro-2-methoxy-3-pyridinyl)phenyl]-5-methylimidazol-4-one;2-amino-5-[3-(3-chlorophenyl)phenyl]-5-cyclopropyl-3-(pyridin-3-ylmethyl)imidazol-4-one;N-[(1R,3S)-3-[[(4R)-2-amino-4-(2-cyclohexylethyl)-1-methyl-5-oxoimidazol-4-yl]methyl]cyclohexyl]-6-oxo-1H-pyridine-3-carboxamide is CN1C(=O)[C@@](CCC2CCCCC2)(C[C@H]2CCC[C@@H](NC(=O)c3ccc(=O)[nH]c3)C2)N=C1N.COc1ncc(Cl)cc1-c1cccc(C2(C)N=C(N)N(CC3CCN(C(C)=O)CC3)C2=O)c1.NC1=NC(c2cccc(-c3cccc(Cl)c3)c2)(C2CC2)C(=O)N1Cc1cccnc1.

What is the InChIKey of 3-[(1-acetylpiperidin-4-yl)methyl]-2-amino-5-[3-(5-chloro-2-methoxy-3-pyridinyl)phenyl]-5-methylimidazol-4-one;2-amino-5-[3-(3-chlorophenyl)phenyl]-5-cyclopropyl-3-(pyridin-3-ylmethyl)imidazol-4-one;N-[(1R,3S)-3-[[(4R)-2-amino-4-(2-cyclohexylethyl)-1-methyl-5-oxoimidazol-4-yl]methyl]cyclohexyl]-6-oxo-1H-pyridine-3-carboxamide?

The InChIKey is ZITNXRXQMMFNSA-DVFWFSLZSA-N. The full InChI is InChI=1S/C25H37N5O3.C24H28ClN5O3.C24H21ClN4O/c1-30-23(33)25(29-24(30)26,13-12-17-6-3-2-4-7-17)15-18-8-5-9-20(14-18)28-22(32)19-10-11-21(31)27-16-19;1-15(31)29-9-7-16(8-10-29)14-30-22(32)24(2,28-23(30)26)18-6-4-5-17(11-18)20-12-19(25)13-27-21(20)33-3;25-21-8-2-6-18(13-21)17-5-1-7-20(12-17)24(19-9-10-19)22(30)29(23(26)28-24)15-16-4-3-11-27-14-16/h10-11,16-18,20H,2-9,12-15H2,1H3,(H2,26,29)(H,27,31)(H,28,32);4-6,11-13,16H,7-10,14H2,1-3H3,(H2,26,28);1-8,11-14,19H,9-10,15H2,(H2,26,28)/t18-,20+,25+;;/m0../s1.

What are the key properties of 3-[(1-acetylpiperidin-4-yl)methyl]-2-amino-5-[3-(5-chloro-2-methoxy-3-pyridinyl)phenyl]-5-methylimidazol-4-one;2-amino-5-[3-(3-chlorophenyl)phenyl]-5-cyclopropyl-3-(pyridin-3-ylmethyl)imidazol-4-one;N-[(1R,3S)-3-[[(4R)-2-amino-4-(2-cyclohexylethyl)-1-methyl-5-oxoimidazol-4-yl]methyl]cyclohexyl]-6-oxo-1H-pyridine-3-carboxamide?

3-[(1-acetylpiperidin-4-yl)methyl]-2-amino-5-[3-(5-chloro-2-methoxy-3-pyridinyl)phenyl]-5-methylimidazol-4-one;2-amino-5-[3-(3-chlorophenyl)phenyl]-5-cyclopropyl-3-(pyridin-3-ylmethyl)imidazol-4-one;N-[(1R,3S)-3-[[(4R)-2-amino-4-(2-cyclohexylethyl)-1-methyl-5-oxoimidazol-4-yl]methyl]cyclohexyl]-6-oxo-1H-pyridine-3-carboxamide has a molecular weight of 1342.49 g/mol, XLogP of 10.35, 17 rotatable bonds, 5 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[(1-acetylpiperidin-4-yl)methyl]-2-amino-5-[3-(5-chloro-2-methoxy-3-pyridinyl)phenyl]-5-methylimidazol-4-one;2-amino-5-[3-(3-chlorophenyl)phenyl]-5-cyclopropyl-3-(pyridin-3-ylmethyl)imidazol-4-one;N-[(1R,3S)-3-[[(4R)-2-amino-4-(2-cyclohexylethyl)-1-methyl-5-oxoimidazol-4-yl]methyl]cyclohexyl]-6-oxo-1H-pyridine-3-carboxamide is sourced from PubChem (CID 162131838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).