1-[5-(azetidine-1-carbonyl)-2-pyridinyl]-3-(2-methylpropyl)pyridin-2-one;5-chloro-1-(6-cyclopropylpyridazin-3-yl)-3-(2-methylpropyl)pyridin-2-one;5-chloro-3-(2-methylpropyl)-1-[(3R)-oxan-3-yl]pyridin-2-one;5-chloro-3-(2-methylpropyl)-1-[(3S)-oxan-3-yl]pyridin-2-one;bis(1-[6-(2-methylpropyl)-2-pyridinyl]pyrrolidin-2-one);bis(3-(2-methylpropyl)-1-[5-(pyrrolidine-1-carbonyl)-2-pyridinyl]pyridin-2-one);4-[[3-(propan-2-ylamino)-2-pyridinyl]oxy]cyclohexan-1-ol

C140H183Cl3N20O15 — CID 158019534

IUPAC1-[5-(azetidine-1-carbonyl)-2-pyridinyl]-3-(2-methylpropyl)pyridin-2-one;5-chloro-1-(6-cyclopropylpyridazin-3-yl)-3-(2-methylpropyl)pyridin-2-one;5-chloro-3-(2-methylpropyl)-1-[(3R)-oxan-3-yl]pyridin-2-one;5-chloro-3-(2-methylpropyl)-1-[(3S)-oxan-3-yl]pyridin-2-one;bis(1-[6-(2-methylpropyl)-2-pyridinyl]pyrrolidin-2-one);bis(3-(2-methylpropyl)-1-[5-(pyrrolidine-1-carbonyl)-2-pyridinyl]pyridin-2-one);4-[[3-(propan-2-ylamino)-2-pyridinyl]oxy]cyclohexan-1-ol
SMILESCC(C)Cc1cc(Cl)cn(-c2ccc(C3CC3)nn2)c1=O.CC(C)Cc1cc(Cl)cn([C@@H]2CCCOC2)c1=O.CC(C)Cc1cc(Cl)cn([C@H]2CCCOC2)c1=O.CC(C)Cc1cccc(N2CCCC2=O)n1.CC(C)Cc1cccc(N2CCCC2=O)n1.CC(C)Cc1cccn(-c2ccc(C(=O)N3CCC3)cn2)c1=O.CC(C)Cc1cccn(-c2ccc(C(=O)N3CCCC3)cn2)c1=O.CC(C)Cc1cccn(-c2ccc(C(=O)N3CCCC3)cn2)c1=O.CC(C)Nc1cccnc1OC1CCC(O)CC1
InChIInChI=1S/2C19H23N3O2.C18H21N3O2.C16H18ClN3O.2C14H20ClNO2.C14H22N2O2.2C13H18N2O/c2*1-14(2)12-15-6-5-11-22(19(15)24)17-8-7-16(13-20-17)18(23)21-9-3-4-10-21;1-13(2)11-14-5-3-10-21(18(14)23)16-7-6-15(12-19-16)17(22)20-8-4-9-20;1-10(2)7-12-8-13(17)9-20(16(12)21)15-6-5-14(18-19-15)11-3-4-11;2*1-10(2)6-11-7-12(15)8-16(14(11)17)13-4-3-5-18-9-13;1-10(2)16-13-4-3-9-15-14(13)18-12-7-5-11(17)6-8-12;2*1-10(2)9-11-5-3-6-12(14-11)15-8-4-7-13(15)16/h2*5-8,11,13-14H,3-4,9-10,12H2,1-2H3;3,5-7,10,12-13H,4,8-9,11H2,1-2H3;5-6,8-11H,3-4,7H2,1-2H3;2*7-8,10,13H,3-6,9H2,1-2H3;3-4,9-12,16-17H,5-8H2,1-2H3;2*3,5-6,10H,4,7-9H2,1-2H3/t;;;;2*13-;;;/m....10.../s1
InChIKeyFFWVKFGDJWHYTC-JWLKGOEVSA-N
MW2492.49 g/mol
LogP24.47
Rot. Bonds32

About 1-[5-(azetidine-1-carbonyl)-2-pyridinyl]-3-(2-methylpropyl)pyridin-2-one;5-chloro-1-(6-cyclopropylpyridazin-3-yl)-3-(2-methylpropyl)pyridin-2-one;5-chloro-3-(2-methylpropyl)-1-[(3R)-oxan-3-yl]pyridin-2-one;5-chloro-3-(2-methylpropyl)-1-[(3S)-oxan-3-yl]pyridin-2-one;bis(1-[6-(2-methylpropyl)-2-pyridinyl]pyrrolidin-2-one);bis(3-(2-methylpropyl)-1-[5-(pyrrolidine-1-carbonyl)-2-pyridinyl]pyridin-2-one);4-[[3-(propan-2-ylamino)-2-pyridinyl]oxy]cyclohexan-1-ol

1-[5-(azetidine-1-carbonyl)-2-pyridinyl]-3-(2-methylpropyl)pyridin-2-one;5-chloro-1-(6-cyclopropylpyridazin-3-yl)-3-(2-methylpropyl)pyridin-2-one;5-chloro-3-(2-methylpropyl)-1-[(3R)-oxan-3-yl]pyridin-2-one;5-chloro-3-(2-methylpropyl)-1-[(3S)-oxan-3-yl]pyridin-2-one;bis(1-[6-(2-methylpropyl)-2-pyridinyl]pyrrolidin-2-one);bis(3-(2-methylpropyl)-1-[5-(pyrrolidine-1-carbonyl)-2-pyridinyl]pyridin-2-one);4-[[3-(propan-2-ylamino)-2-pyridinyl]oxy]cyclohexan-1-ol (PubChem CID 158019534) has the molecular formula C140H183Cl3N20O15 and a molecular weight of 2492.49 g/mol. Its IUPAC name is 1-[5-(azetidine-1-carbonyl)-2-pyridinyl]-3-(2-methylpropyl)pyridin-2-one;5-chloro-1-(6-cyclopropylpyridazin-3-yl)-3-(2-methylpropyl)pyridin-2-one;5-chloro-3-(2-methylpropyl)-1-[(3R)-oxan-3-yl]pyridin-2-one;5-chloro-3-(2-methylpropyl)-1-[(3S)-oxan-3-yl]pyridin-2-one;bis(1-[6-(2-methylpropyl)-2-pyridinyl]pyrrolidin-2-one);bis(3-(2-methylpropyl)-1-[5-(pyrrolidine-1-carbonyl)-2-pyridinyl]pyridin-2-one);4-[[3-(propan-2-ylamino)-2-pyridinyl]oxy]cyclohexan-1-ol.

Molecular Properties

Compound Name1-[5-(azetidine-1-carbonyl)-2-pyridinyl]-3-(2-methylpropyl)pyridin-2-one;5-chloro-1-(6-cyclopropylpyridazin-3-yl)-3-(2-methylpropyl)pyridin-2-one;5-chloro-3-(2-methylpropyl)-1-[(3R)-oxan-3-yl]pyridin-2-one;5-chloro-3-(2-methylpropyl)-1-[(3S)-oxan-3-yl]pyridin-2-one;bis(1-[6-(2-methylpropyl)-2-pyridinyl]pyrrolidin-2-one);bis(3-(2-methylpropyl)-1-[5-(pyrrolidine-1-carbonyl)-2-pyridinyl]pyridin-2-one);4-[[3-(propan-2-ylamino)-2-pyridinyl]oxy]cyclohexan-1-ol
PubChem CID158019534
Molecular FormulaC140H183Cl3N20O15
Molecular Weight2492.49 g/mol
Exact Mass2489.32
IUPAC Name1-[5-(azetidine-1-carbonyl)-2-pyridinyl]-3-(2-methylpropyl)pyridin-2-one;5-chloro-1-(6-cyclopropylpyridazin-3-yl)-3-(2-methylpropyl)pyridin-2-one;5-chloro-3-(2-methylpropyl)-1-[(3R)-oxan-3-yl]pyridin-2-one;5-chloro-3-(2-methylpropyl)-1-[(3S)-oxan-3-yl]pyridin-2-one;bis(1-[6-(2-methylpropyl)-2-pyridinyl]pyrrolidin-2-one);bis(3-(2-methylpropyl)-1-[5-(pyrrolidine-1-carbonyl)-2-pyridinyl]pyridin-2-one);4-[[3-(propan-2-ylamino)-2-pyridinyl]oxy]cyclohexan-1-ol
SMILESCC(C)Cc1cc(Cl)cn(-c2ccc(C3CC3)nn2)c1=O.CC(C)Cc1cc(Cl)cn([C@@H]2CCCOC2)c1=O.CC(C)Cc1cc(Cl)cn([C@H]2CCCOC2)c1=O.CC(C)Cc1cccc(N2CCCC2=O)n1.CC(C)Cc1cccc(N2CCCC2=O)n1.CC(C)Cc1cccn(-c2ccc(C(=O)N3CCC3)cn2)c1=O.CC(C)Cc1cccn(-c2ccc(C(=O)N3CCCC3)cn2)c1=O.CC(C)Cc1cccn(-c2ccc(C(=O)N3CCCC3)cn2)c1=O.CC(C)Nc1cccnc1OC1CCC(O)CC1
InChIInChI=1S/2C19H23N3O2.C18H21N3O2.C16H18ClN3O.2C14H20ClNO2.C14H22N2O2.2C13H18N2O/c2*1-14(2)12-15-6-5-11-22(19(15)24)17-8-7-16(13-20-17)18(23)21-9-3-4-10-21;1-13(2)11-14-5-3-10-21(18(14)23)16-7-6-15(12-19-16)17(22)20-8-4-9-20;1-10(2)7-12-8-13(17)9-20(16(12)21)15-6-5-14(18-19-15)11-3-4-11;2*1-10(2)6-11-7-12(15)8-16(14(11)17)13-4-3-5-18-9-13;1-10(2)16-13-4-3-9-15-14(13)18-12-7-5-11(17)6-8-12;2*1-10(2)9-11-5-3-6-12(14-11)15-8-4-7-13(15)16/h2*5-8,11,13-14H,3-4,9-10,12H2,1-2H3;3,5-7,10,12-13H,4,8-9,11H2,1-2H3;5-6,8-11H,3-4,7H2,1-2H3;2*7-8,10,13H,3-6,9H2,1-2H3;3-4,9-12,16-17H,5-8H2,1-2H3;2*3,5-6,10H,4,7-9H2,1-2H3/t;;;;2*13-;;;/m....10.../s1
InChIKeyFFWVKFGDJWHYTC-JWLKGOEVSA-N
XLogP24.47
TPSA396.62 Ų
H-Bond Donors2
H-Bond Acceptors30
Rotatable Bonds32
Heavy Atoms178
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002492.49
LogP ≤ 524.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1030

Analyze 1-[5-(azetidine-1-carbonyl)-2-pyridinyl]-3-(2-methylpropyl)pyridin-2-one;5-chloro-1-(6-cyclopropylpyridazin-3-yl)-3-(2-methylpropyl)pyridin-2-one;5-chloro-3-(2-methylpropyl)-1-[(3R)-oxan-3-yl]pyridin-2-one;5-chloro-3-(2-methylpropyl)-1-[(3S)-oxan-3-yl]pyridin-2-one;bis(1-[6-(2-methylpropyl)-2-pyridinyl]pyrrolidin-2-one);bis(3-(2-methylpropyl)-1-[5-(pyrrolidine-1-carbonyl)-2-pyridinyl]pyridin-2-one);4-[[3-(propan-2-ylamino)-2-pyridinyl]oxy]cyclohexan-1-ol with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[5-(azetidine-1-carbonyl)-2-pyridinyl]-3-(2-methylpropyl)pyridin-2-one;5-chloro-1-(6-cyclopropylpyridazin-3-yl)-3-(2-methylpropyl)pyridin-2-one;5-chloro-3-(2-methylpropyl)-1-[(3R)-oxan-3-yl]pyridin-2-one;5-chloro-3-(2-methylpropyl)-1-[(3S)-oxan-3-yl]pyridin-2-one;bis(1-[6-(2-methylpropyl)-2-pyridinyl]pyrrolidin-2-one);bis(3-(2-methylpropyl)-1-[5-(pyrrolidine-1-carbonyl)-2-pyridinyl]pyridin-2-one);4-[[3-(propan-2-ylamino)-2-pyridinyl]oxy]cyclohexan-1-ol?
The IUPAC name of 1-[5-(azetidine-1-carbonyl)-2-pyridinyl]-3-(2-methylpropyl)pyridin-2-one;5-chloro-1-(6-cyclopropylpyridazin-3-yl)-3-(2-methylpropyl)pyridin-2-one;5-chloro-3-(2-methylpropyl)-1-[(3R)-oxan-3-yl]pyridin-2-one;5-chloro-3-(2-methylpropyl)-1-[(3S)-oxan-3-yl]pyridin-2-one;bis(1-[6-(2-methylpropyl)-2-pyridinyl]pyrrolidin-2-one);bis(3-(2-methylpropyl)-1-[5-(pyrrolidine-1-carbonyl)-2-pyridinyl]pyridin-2-one);4-[[3-(propan-2-ylamino)-2-pyridinyl]oxy]cyclohexan-1-ol (CID 158019534) is 1-[5-(azetidine-1-carbonyl)-2-pyridinyl]-3-(2-methylpropyl)pyridin-2-one;5-chloro-1-(6-cyclopropylpyridazin-3-yl)-3-(2-methylpropyl)pyridin-2-one;5-chloro-3-(2-methylpropyl)-1-[(3R)-oxan-3-yl]pyridin-2-one;5-chloro-3-(2-methylpropyl)-1-[(3S)-oxan-3-yl]pyridin-2-one;bis(1-[6-(2-methylpropyl)-2-pyridinyl]pyrrolidin-2-one);bis(3-(2-methylpropyl)-1-[5-(pyrrolidine-1-carbonyl)-2-pyridinyl]pyridin-2-one);4-[[3-(propan-2-ylamino)-2-pyridinyl]oxy]cyclohexan-1-ol.
What is the SMILES notation for 1-[5-(azetidine-1-carbonyl)-2-pyridinyl]-3-(2-methylpropyl)pyridin-2-one;5-chloro-1-(6-cyclopropylpyridazin-3-yl)-3-(2-methylpropyl)pyridin-2-one;5-chloro-3-(2-methylpropyl)-1-[(3R)-oxan-3-yl]pyridin-2-one;5-chloro-3-(2-methylpropyl)-1-[(3S)-oxan-3-yl]pyridin-2-one;bis(1-[6-(2-methylpropyl)-2-pyridinyl]pyrrolidin-2-one);bis(3-(2-methylpropyl)-1-[5-(pyrrolidine-1-carbonyl)-2-pyridinyl]pyridin-2-one);4-[[3-(propan-2-ylamino)-2-pyridinyl]oxy]cyclohexan-1-ol?
The canonical SMILES for 1-[5-(azetidine-1-carbonyl)-2-pyridinyl]-3-(2-methylpropyl)pyridin-2-one;5-chloro-1-(6-cyclopropylpyridazin-3-yl)-3-(2-methylpropyl)pyridin-2-one;5-chloro-3-(2-methylpropyl)-1-[(3R)-oxan-3-yl]pyridin-2-one;5-chloro-3-(2-methylpropyl)-1-[(3S)-oxan-3-yl]pyridin-2-one;bis(1-[6-(2-methylpropyl)-2-pyridinyl]pyrrolidin-2-one);bis(3-(2-methylpropyl)-1-[5-(pyrrolidine-1-carbonyl)-2-pyridinyl]pyridin-2-one);4-[[3-(propan-2-ylamino)-2-pyridinyl]oxy]cyclohexan-1-ol is CC(C)Cc1cc(Cl)cn(-c2ccc(C3CC3)nn2)c1=O.CC(C)Cc1cc(Cl)cn([C@@H]2CCCOC2)c1=O.CC(C)Cc1cc(Cl)cn([C@H]2CCCOC2)c1=O.CC(C)Cc1cccc(N2CCCC2=O)n1.CC(C)Cc1cccc(N2CCCC2=O)n1.CC(C)Cc1cccn(-c2ccc(C(=O)N3CCC3)cn2)c1=O.CC(C)Cc1cccn(-c2ccc(C(=O)N3CCCC3)cn2)c1=O.CC(C)Cc1cccn(-c2ccc(C(=O)N3CCCC3)cn2)c1=O.CC(C)Nc1cccnc1OC1CCC(O)CC1.
What is the InChIKey of 1-[5-(azetidine-1-carbonyl)-2-pyridinyl]-3-(2-methylpropyl)pyridin-2-one;5-chloro-1-(6-cyclopropylpyridazin-3-yl)-3-(2-methylpropyl)pyridin-2-one;5-chloro-3-(2-methylpropyl)-1-[(3R)-oxan-3-yl]pyridin-2-one;5-chloro-3-(2-methylpropyl)-1-[(3S)-oxan-3-yl]pyridin-2-one;bis(1-[6-(2-methylpropyl)-2-pyridinyl]pyrrolidin-2-one);bis(3-(2-methylpropyl)-1-[5-(pyrrolidine-1-carbonyl)-2-pyridinyl]pyridin-2-one);4-[[3-(propan-2-ylamino)-2-pyridinyl]oxy]cyclohexan-1-ol?
The InChIKey is FFWVKFGDJWHYTC-JWLKGOEVSA-N. The full InChI is InChI=1S/2C19H23N3O2.C18H21N3O2.C16H18ClN3O.2C14H20ClNO2.C14H22N2O2.2C13H18N2O/c2*1-14(2)12-15-6-5-11-22(19(15)24)17-8-7-16(13-20-17)18(23)21-9-3-4-10-21;1-13(2)11-14-5-3-10-21(18(14)23)16-7-6-15(12-19-16)17(22)20-8-4-9-20;1-10(2)7-12-8-13(17)9-20(16(12)21)15-6-5-14(18-19-15)11-3-4-11;2*1-10(2)6-11-7-12(15)8-16(14(11)17)13-4-3-5-18-9-13;1-10(2)16-13-4-3-9-15-14(13)18-12-7-5-11(17)6-8-12;2*1-10(2)9-11-5-3-6-12(14-11)15-8-4-7-13(15)16/h2*5-8,11,13-14H,3-4,9-10,12H2,1-2H3;3,5-7,10,12-13H,4,8-9,11H2,1-2H3;5-6,8-11H,3-4,7H2,1-2H3;2*7-8,10,13H,3-6,9H2,1-2H3;3-4,9-12,16-17H,5-8H2,1-2H3;2*3,5-6,10H,4,7-9H2,1-2H3/t;;;;2*13-;;;/m....10.../s1.
What are the key properties of 1-[5-(azetidine-1-carbonyl)-2-pyridinyl]-3-(2-methylpropyl)pyridin-2-one;5-chloro-1-(6-cyclopropylpyridazin-3-yl)-3-(2-methylpropyl)pyridin-2-one;5-chloro-3-(2-methylpropyl)-1-[(3R)-oxan-3-yl]pyridin-2-one;5-chloro-3-(2-methylpropyl)-1-[(3S)-oxan-3-yl]pyridin-2-one;bis(1-[6-(2-methylpropyl)-2-pyridinyl]pyrrolidin-2-one);bis(3-(2-methylpropyl)-1-[5-(pyrrolidine-1-carbonyl)-2-pyridinyl]pyridin-2-one);4-[[3-(propan-2-ylamino)-2-pyridinyl]oxy]cyclohexan-1-ol?
1-[5-(azetidine-1-carbonyl)-2-pyridinyl]-3-(2-methylpropyl)pyridin-2-one;5-chloro-1-(6-cyclopropylpyridazin-3-yl)-3-(2-methylpropyl)pyridin-2-one;5-chloro-3-(2-methylpropyl)-1-[(3R)-oxan-3-yl]pyridin-2-one;5-chloro-3-(2-methylpropyl)-1-[(3S)-oxan-3-yl]pyridin-2-one;bis(1-[6-(2-methylpropyl)-2-pyridinyl]pyrrolidin-2-one);bis(3-(2-methylpropyl)-1-[5-(pyrrolidine-1-carbonyl)-2-pyridinyl]pyridin-2-one);4-[[3-(propan-2-ylamino)-2-pyridinyl]oxy]cyclohexan-1-ol has a molecular weight of 2492.49 g/mol, XLogP of 24.47, 32 rotatable bonds, 2 hydrogen bond donors, and 30 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(azetidine-1-carbonyl)-2-pyridinyl]-3-(2-methylpropyl)pyridin-2-one;5-chloro-1-(6-cyclopropylpyridazin-3-yl)-3-(2-methylpropyl)pyridin-2-one;5-chloro-3-(2-methylpropyl)-1-[(3R)-oxan-3-yl]pyridin-2-one;5-chloro-3-(2-methylpropyl)-1-[(3S)-oxan-3-yl]pyridin-2-one;bis(1-[6-(2-methylpropyl)-2-pyridinyl]pyrrolidin-2-one);bis(3-(2-methylpropyl)-1-[5-(pyrrolidine-1-carbonyl)-2-pyridinyl]pyridin-2-one);4-[[3-(propan-2-ylamino)-2-pyridinyl]oxy]cyclohexan-1-ol is sourced from PubChem (CID 158019534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).