1-(3-fluoro-5-methoxy-2-pyridinyl)-3-(2-methylpropyl)pyridin-2-one;1-[(1S,2R)-2-methoxycyclohexyl]-3-(2-methylpropyl)pyridin-2-one;1-[(1S,3R)-3-methoxycyclohexyl]-3-(2-methylpropyl)pyridin-2-one;1-[(1R,3R)-3-methoxycyclohexyl]-3-(2-methylpropyl)pyridin-2-one;1-[(1S,2R)-2-methoxycyclopentyl]-3-(2-methylpropyl)pyridin-2-one;1-[(1R,2R)-2-methoxycyclopentyl]-3-(2-methylpropyl)pyridin-2-one;1-[(3S,4S)-3-methoxyoxan-4-yl]-3-(2-methylpropyl)pyridin-2-one;bis(1-(5-methoxy-2-pyridinyl)-3-(2-methylpropyl)pyridin-2-one)

C138H197FN12O19 — CID 157229332

About 1-(3-fluoro-5-methoxy-2-pyridinyl)-3-(2-methylpropyl)pyridin-2-one;1-[(1S,2R)-2-methoxycyclohexyl]-3-(2-methylpropyl)pyridin-2-one;1-[(1S,3R)-3-methoxycyclohexyl]-3-(2-methylpropyl)pyridin-2-one;1-[(1R,3R)-3-methoxycyclohexyl]-3-(2-methylpropyl)pyridin-2-one;1-[(1S,2R)-2-methoxycyclopentyl]-3-(2-methylpropyl)pyridin-2-one;1-[(1R,2R)-2-methoxycyclopentyl]-3-(2-methylpropyl)pyridin-2-one;1-[(3S,4S)-3-methoxyoxan-4-yl]-3-(2-methylpropyl)pyridin-2-one;bis(1-(5-methoxy-2-pyridinyl)-3-(2-methylpropyl)pyridin-2-one)

1-(3-fluoro-5-methoxy-2-pyridinyl)-3-(2-methylpropyl)pyridin-2-one;1-[(1S,2R)-2-methoxycyclohexyl]-3-(2-methylpropyl)pyridin-2-one;1-[(1S,3R)-3-methoxycyclohexyl]-3-(2-methylpropyl)pyridin-2-one;1-[(1R,3R)-3-methoxycyclohexyl]-3-(2-methylpropyl)pyridin-2-one;1-[(1S,2R)-2-methoxycyclopentyl]-3-(2-methylpropyl)pyridin-2-one;1-[(1R,2R)-2-methoxycyclopentyl]-3-(2-methylpropyl)pyridin-2-one;1-[(3S,4S)-3-methoxyoxan-4-yl]-3-(2-methylpropyl)pyridin-2-one;bis(1-(5-methoxy-2-pyridinyl)-3-(2-methylpropyl)pyridin-2-one) (PubChem CID 157229332) has the molecular formula C138H197FN12O19 and a molecular weight of 2347.16 g/mol. Its IUPAC name is 1-(3-fluoro-5-methoxy-2-pyridinyl)-3-(2-methylpropyl)pyridin-2-one;1-[(1S,2R)-2-methoxycyclohexyl]-3-(2-methylpropyl)pyridin-2-one;1-[(1S,3R)-3-methoxycyclohexyl]-3-(2-methylpropyl)pyridin-2-one;1-[(1R,3R)-3-methoxycyclohexyl]-3-(2-methylpropyl)pyridin-2-one;1-[(1S,2R)-2-methoxycyclopentyl]-3-(2-methylpropyl)pyridin-2-one;1-[(1R,2R)-2-methoxycyclopentyl]-3-(2-methylpropyl)pyridin-2-one;1-[(3S,4S)-3-methoxyoxan-4-yl]-3-(2-methylpropyl)pyridin-2-one;bis(1-(5-methoxy-2-pyridinyl)-3-(2-methylpropyl)pyridin-2-one).

Molecular Properties

• Compound Name: 1-(3-fluoro-5-methoxy-2-pyridinyl)-3-(2-methylpropyl)pyridin-2-one;1-[(1S,2R)-2-methoxycyclohexyl]-3-(2-methylpropyl)pyridin-2-one;1-[(1S,3R)-3-methoxycyclohexyl]-3-(2-methylpropyl)pyridin-2-one;1-[(1R,3R)-3-methoxycyclohexyl]-3-(2-methylpropyl)pyridin-2-one;1-[(1S,2R)-2-methoxycyclopentyl]-3-(2-methylpropyl)pyridin-2-one;1-[(1R,2R)-2-methoxycyclopentyl]-3-(2-methylpropyl)pyridin-2-one;1-[(3S,4S)-3-methoxyoxan-4-yl]-3-(2-methylpropyl)pyridin-2-one;bis(1-(5-methoxy-2-pyridinyl)-3-(2-methylpropyl)pyridin-2-one)
• PubChem CID: 157229332
• Molecular Formula: C138H197FN12O19
• Molecular Weight: 2347.16 g/mol
• Exact Mass: 2345.48
• IUPAC Name: 1-(3-fluoro-5-methoxy-2-pyridinyl)-3-(2-methylpropyl)pyridin-2-one;1-[(1S,2R)-2-methoxycyclohexyl]-3-(2-methylpropyl)pyridin-2-one;1-[(1S,3R)-3-methoxycyclohexyl]-3-(2-methylpropyl)pyridin-2-one;1-[(1R,3R)-3-methoxycyclohexyl]-3-(2-methylpropyl)pyridin-2-one;1-[(1S,2R)-2-methoxycyclopentyl]-3-(2-methylpropyl)pyridin-2-one;1-[(1R,2R)-2-methoxycyclopentyl]-3-(2-methylpropyl)pyridin-2-one;1-[(3S,4S)-3-methoxyoxan-4-yl]-3-(2-methylpropyl)pyridin-2-one;bis(1-(5-methoxy-2-pyridinyl)-3-(2-methylpropyl)pyridin-2-one)
• SMILES: CO[C@@H]1CCCC[C@@H]1n1cccc(CC(C)C)c1=O.CO[C@@H]1CCC[C@@H](n2cccc(CC(C)C)c2=O)C1.CO[C@@H]1CCC[C@@H]1n1cccc(CC(C)C)c1=O.CO[C@@H]1CCC[C@H](n2cccc(CC(C)C)c2=O)C1.CO[C@@H]1CCC[C@H]1n1cccc(CC(C)C)c1=O.CO[C@@H]1COCC[C@@H]1n1cccc(CC(C)C)c1=O.COc1ccc(-n2cccc(CC(C)C)c2=O)nc1.COc1ccc(-n2cccc(CC(C)C)c2=O)nc1.COc1cnc(-n2cccc(CC(C)C)c2=O)c(F)c1
• InChI: InChI=1S/3C16H25NO2.C15H17FN2O2.2C15H18N2O2.C15H23NO3.2C15H23NO2/c2*1-12(2)10-13-6-5-9-17(16(13)18)14-7-4-8-15(11-14)19-3;1-12(2)11-13-7-6-10-17(16(13)18)14-8-4-5-9-15(14)19-3;1-10(2)7-11-5-4-6-18(15(11)19)14-13(16)8-12(20-3)9-17-14;2*1-11(2)9-12-5-4-8-17(15(12)18)14-7-6-13(19-3)10-16-14;1-11(2)9-12-5-4-7-16(15(12)17)13-6-8-19-10-14(13)18-3;2*1-11(2)10-12-6-5-9-16(15(12)17)13-7-4-8-14(13)18-3/h2*5-6,9,12,14-15H,4,7-8,10-11H2,1-3H3;6-7,10,12,14-15H,4-5,8-9,11H2,1-3H3;4-6,8-10H,7H2,1-3H3;2*4-8,10-11H,9H2,1-3H3;4-5,7,11,13-14H,6,8-10H2,1-3H3;2*5-6,9,11,13-14H,4,7-8,10H2,1-3H3/t14-,15+;14-,15-;14-,15+;;;;2*13-,14+;13-,14-/m010...001/s1
• InChIKey: ATXPXTYKOIOOLO-HCHRXBPJSA-N
• XLogP: 24.59
• TPSA: 328.97 Ų
• H-Bond Acceptors: 31
• Rotatable Bonds: 36
• Heavy Atoms: 170
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2347.16
LogP ≤ 5	24.59
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	31

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluoro-5-methoxy-2-pyridinyl)-3-(2-methylpropyl)pyridin-2-one;1-[(1S,2R)-2-methoxycyclohexyl]-3-(2-methylpropyl)pyridin-2-one;1-[(1S,3R)-3-methoxycyclohexyl]-3-(2-methylpropyl)pyridin-2-one;1-[(1R,3R)-3-methoxycyclohexyl]-3-(2-methylpropyl)pyridin-2-one;1-[(1S,2R)-2-methoxycyclopentyl]-3-(2-methylpropyl)pyridin-2-one;1-[(1R,2R)-2-methoxycyclopentyl]-3-(2-methylpropyl)pyridin-2-one;1-[(3S,4S)-3-methoxyoxan-4-yl]-3-(2-methylpropyl)pyridin-2-one;bis(1-(5-methoxy-2-pyridinyl)-3-(2-methylpropyl)pyridin-2-one)?

The IUPAC name of 1-(3-fluoro-5-methoxy-2-pyridinyl)-3-(2-methylpropyl)pyridin-2-one;1-[(1S,2R)-2-methoxycyclohexyl]-3-(2-methylpropyl)pyridin-2-one;1-[(1S,3R)-3-methoxycyclohexyl]-3-(2-methylpropyl)pyridin-2-one;1-[(1R,3R)-3-methoxycyclohexyl]-3-(2-methylpropyl)pyridin-2-one;1-[(1S,2R)-2-methoxycyclopentyl]-3-(2-methylpropyl)pyridin-2-one;1-[(1R,2R)-2-methoxycyclopentyl]-3-(2-methylpropyl)pyridin-2-one;1-[(3S,4S)-3-methoxyoxan-4-yl]-3-(2-methylpropyl)pyridin-2-one;bis(1-(5-methoxy-2-pyridinyl)-3-(2-methylpropyl)pyridin-2-one) (CID 157229332) is 1-(3-fluoro-5-methoxy-2-pyridinyl)-3-(2-methylpropyl)pyridin-2-one;1-[(1S,2R)-2-methoxycyclohexyl]-3-(2-methylpropyl)pyridin-2-one;1-[(1S,3R)-3-methoxycyclohexyl]-3-(2-methylpropyl)pyridin-2-one;1-[(1R,3R)-3-methoxycyclohexyl]-3-(2-methylpropyl)pyridin-2-one;1-[(1S,2R)-2-methoxycyclopentyl]-3-(2-methylpropyl)pyridin-2-one;1-[(1R,2R)-2-methoxycyclopentyl]-3-(2-methylpropyl)pyridin-2-one;1-[(3S,4S)-3-methoxyoxan-4-yl]-3-(2-methylpropyl)pyridin-2-one;bis(1-(5-methoxy-2-pyridinyl)-3-(2-methylpropyl)pyridin-2-one).

What is the SMILES notation for 1-(3-fluoro-5-methoxy-2-pyridinyl)-3-(2-methylpropyl)pyridin-2-one;1-[(1S,2R)-2-methoxycyclohexyl]-3-(2-methylpropyl)pyridin-2-one;1-[(1S,3R)-3-methoxycyclohexyl]-3-(2-methylpropyl)pyridin-2-one;1-[(1R,3R)-3-methoxycyclohexyl]-3-(2-methylpropyl)pyridin-2-one;1-[(1S,2R)-2-methoxycyclopentyl]-3-(2-methylpropyl)pyridin-2-one;1-[(1R,2R)-2-methoxycyclopentyl]-3-(2-methylpropyl)pyridin-2-one;1-[(3S,4S)-3-methoxyoxan-4-yl]-3-(2-methylpropyl)pyridin-2-one;bis(1-(5-methoxy-2-pyridinyl)-3-(2-methylpropyl)pyridin-2-one)?

The canonical SMILES for 1-(3-fluoro-5-methoxy-2-pyridinyl)-3-(2-methylpropyl)pyridin-2-one;1-[(1S,2R)-2-methoxycyclohexyl]-3-(2-methylpropyl)pyridin-2-one;1-[(1S,3R)-3-methoxycyclohexyl]-3-(2-methylpropyl)pyridin-2-one;1-[(1R,3R)-3-methoxycyclohexyl]-3-(2-methylpropyl)pyridin-2-one;1-[(1S,2R)-2-methoxycyclopentyl]-3-(2-methylpropyl)pyridin-2-one;1-[(1R,2R)-2-methoxycyclopentyl]-3-(2-methylpropyl)pyridin-2-one;1-[(3S,4S)-3-methoxyoxan-4-yl]-3-(2-methylpropyl)pyridin-2-one;bis(1-(5-methoxy-2-pyridinyl)-3-(2-methylpropyl)pyridin-2-one) is CO[C@@H]1CCCC[C@@H]1n1cccc(CC(C)C)c1=O.CO[C@@H]1CCC[C@@H](n2cccc(CC(C)C)c2=O)C1.CO[C@@H]1CCC[C@@H]1n1cccc(CC(C)C)c1=O.CO[C@@H]1CCC[C@H](n2cccc(CC(C)C)c2=O)C1.CO[C@@H]1CCC[C@H]1n1cccc(CC(C)C)c1=O.CO[C@@H]1COCC[C@@H]1n1cccc(CC(C)C)c1=O.COc1ccc(-n2cccc(CC(C)C)c2=O)nc1.COc1ccc(-n2cccc(CC(C)C)c2=O)nc1.COc1cnc(-n2cccc(CC(C)C)c2=O)c(F)c1.

What is the InChIKey of 1-(3-fluoro-5-methoxy-2-pyridinyl)-3-(2-methylpropyl)pyridin-2-one;1-[(1S,2R)-2-methoxycyclohexyl]-3-(2-methylpropyl)pyridin-2-one;1-[(1S,3R)-3-methoxycyclohexyl]-3-(2-methylpropyl)pyridin-2-one;1-[(1R,3R)-3-methoxycyclohexyl]-3-(2-methylpropyl)pyridin-2-one;1-[(1S,2R)-2-methoxycyclopentyl]-3-(2-methylpropyl)pyridin-2-one;1-[(1R,2R)-2-methoxycyclopentyl]-3-(2-methylpropyl)pyridin-2-one;1-[(3S,4S)-3-methoxyoxan-4-yl]-3-(2-methylpropyl)pyridin-2-one;bis(1-(5-methoxy-2-pyridinyl)-3-(2-methylpropyl)pyridin-2-one)?

The InChIKey is ATXPXTYKOIOOLO-HCHRXBPJSA-N. The full InChI is InChI=1S/3C16H25NO2.C15H17FN2O2.2C15H18N2O2.C15H23NO3.2C15H23NO2/c2*1-12(2)10-13-6-5-9-17(16(13)18)14-7-4-8-15(11-14)19-3;1-12(2)11-13-7-6-10-17(16(13)18)14-8-4-5-9-15(14)19-3;1-10(2)7-11-5-4-6-18(15(11)19)14-13(16)8-12(20-3)9-17-14;2*1-11(2)9-12-5-4-8-17(15(12)18)14-7-6-13(19-3)10-16-14;1-11(2)9-12-5-4-7-16(15(12)17)13-6-8-19-10-14(13)18-3;2*1-11(2)10-12-6-5-9-16(15(12)17)13-7-4-8-14(13)18-3/h2*5-6,9,12,14-15H,4,7-8,10-11H2,1-3H3;6-7,10,12,14-15H,4-5,8-9,11H2,1-3H3;4-6,8-10H,7H2,1-3H3;2*4-8,10-11H,9H2,1-3H3;4-5,7,11,13-14H,6,8-10H2,1-3H3;2*5-6,9,11,13-14H,4,7-8,10H2,1-3H3/t14-,15+;14-,15-;14-,15+;;;;2*13-,14+;13-,14-/m010...001/s1.

What are the key properties of 1-(3-fluoro-5-methoxy-2-pyridinyl)-3-(2-methylpropyl)pyridin-2-one;1-[(1S,2R)-2-methoxycyclohexyl]-3-(2-methylpropyl)pyridin-2-one;1-[(1S,3R)-3-methoxycyclohexyl]-3-(2-methylpropyl)pyridin-2-one;1-[(1R,3R)-3-methoxycyclohexyl]-3-(2-methylpropyl)pyridin-2-one;1-[(1S,2R)-2-methoxycyclopentyl]-3-(2-methylpropyl)pyridin-2-one;1-[(1R,2R)-2-methoxycyclopentyl]-3-(2-methylpropyl)pyridin-2-one;1-[(3S,4S)-3-methoxyoxan-4-yl]-3-(2-methylpropyl)pyridin-2-one;bis(1-(5-methoxy-2-pyridinyl)-3-(2-methylpropyl)pyridin-2-one)?

1-(3-fluoro-5-methoxy-2-pyridinyl)-3-(2-methylpropyl)pyridin-2-one;1-[(1S,2R)-2-methoxycyclohexyl]-3-(2-methylpropyl)pyridin-2-one;1-[(1S,3R)-3-methoxycyclohexyl]-3-(2-methylpropyl)pyridin-2-one;1-[(1R,3R)-3-methoxycyclohexyl]-3-(2-methylpropyl)pyridin-2-one;1-[(1S,2R)-2-methoxycyclopentyl]-3-(2-methylpropyl)pyridin-2-one;1-[(1R,2R)-2-methoxycyclopentyl]-3-(2-methylpropyl)pyridin-2-one;1-[(3S,4S)-3-methoxyoxan-4-yl]-3-(2-methylpropyl)pyridin-2-one;bis(1-(5-methoxy-2-pyridinyl)-3-(2-methylpropyl)pyridin-2-one) has a molecular weight of 2347.16 g/mol, XLogP of 24.59, 36 rotatable bonds, 0 hydrogen bond donors, and 31 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(3-fluoro-5-methoxy-2-pyridinyl)-3-(2-methylpropyl)pyridin-2-one;1-[(1S,2R)-2-methoxycyclohexyl]-3-(2-methylpropyl)pyridin-2-one;1-[(1S,3R)-3-methoxycyclohexyl]-3-(2-methylpropyl)pyridin-2-one;1-[(1R,3R)-3-methoxycyclohexyl]-3-(2-methylpropyl)pyridin-2-one;1-[(1S,2R)-2-methoxycyclopentyl]-3-(2-methylpropyl)pyridin-2-one;1-[(1R,2R)-2-methoxycyclopentyl]-3-(2-methylpropyl)pyridin-2-one;1-[(3S,4S)-3-methoxyoxan-4-yl]-3-(2-methylpropyl)pyridin-2-one;bis(1-(5-methoxy-2-pyridinyl)-3-(2-methylpropyl)pyridin-2-one) is sourced from PubChem (CID 157229332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).