1-(2-methylpropyl)-5-(1-methylpyrazol-4-yl)-3-[(4-pyrimidin-5-ylcyclohexyl)amino]pyridin-2-one

C23H30N6O — CID 146640961

IUPAC1-(2-methylpropyl)-5-(1-methylpyrazol-4-yl)-3-[(4-pyrimidin-5-ylcyclohexyl)amino]pyridin-2-one
SMILESCC(C)Cn1cc(-c2cnn(C)c2)cc(NC2CCC(c3cncnc3)CC2)c1=O
InChIInChI=1S/C23H30N6O/c1-16(2)12-29-14-18(20-11-26-28(3)13-20)8-22(23(29)30)27-21-6-4-17(5-7-21)19-9-24-15-25-10-19/h8-11,13-17,21,27H,4-7,12H2,1-3H3
InChIKeyNOMPHFVCXYKAAK-UHFFFAOYSA-N
MW406.53 g/mol
LogP3.83
Rot. Bonds6

About 1-(2-methylpropyl)-5-(1-methylpyrazol-4-yl)-3-[(4-pyrimidin-5-ylcyclohexyl)amino]pyridin-2-one

1-(2-methylpropyl)-5-(1-methylpyrazol-4-yl)-3-[(4-pyrimidin-5-ylcyclohexyl)amino]pyridin-2-one (PubChem CID 146640961) has the molecular formula C23H30N6O and a molecular weight of 406.53 g/mol. Its IUPAC name is 1-(2-methylpropyl)-5-(1-methylpyrazol-4-yl)-3-[(4-pyrimidin-5-ylcyclohexyl)amino]pyridin-2-one.

Molecular Properties

Compound Name1-(2-methylpropyl)-5-(1-methylpyrazol-4-yl)-3-[(4-pyrimidin-5-ylcyclohexyl)amino]pyridin-2-one
PubChem CID146640961
Molecular FormulaC23H30N6O
Molecular Weight406.53 g/mol
Exact Mass406.25
IUPAC Name1-(2-methylpropyl)-5-(1-methylpyrazol-4-yl)-3-[(4-pyrimidin-5-ylcyclohexyl)amino]pyridin-2-one
SMILESCC(C)Cn1cc(-c2cnn(C)c2)cc(NC2CCC(c3cncnc3)CC2)c1=O
InChIInChI=1S/C23H30N6O/c1-16(2)12-29-14-18(20-11-26-28(3)13-20)8-22(23(29)30)27-21-6-4-17(5-7-21)19-9-24-15-25-10-19/h8-11,13-17,21,27H,4-7,12H2,1-3H3
InChIKeyNOMPHFVCXYKAAK-UHFFFAOYSA-N
XLogP3.83
TPSA77.63 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.53
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

1-(2-methylpropyl)-3-[(4-phenylcyclohexyl)amino]-5-pyrimidin-5-ylpyridin-2-one
CID 146640819
1-(2-methylpropyl)-5-(1-methylpyrazol-4-yl)-3-[(1-phenylpiperidin-4-yl)amino]pyridin-2-one
CID 146641031
1-(cyclopropylmethyl)-5-(1-methylpyrazol-4-yl)-3-[(4-phenylcyclohexyl)amino]pyridin-2-one
CID 146641029
3-(methoxyamino)-1-(2-methylpropyl)-5-(1-methylpyrazol-4-yl)pyridin-2-one
CID 146640993
3-[[4-(3,4-dimethoxyphenyl)cyclohexyl]amino]-1-ethyl-5-(1-methylpyrazol-4-yl)pyridin-2-one
CID 146640813
4-[4-[[1-(2-methylpropyl)-2-oxo-5-(1,2-thiazol-4-yl)-3-pyridinyl]amino]cyclohexyl]benzenesulfonamide
CID 146641050
2-[4-[[1-(2-methylpropyl)-2-oxo-5-(1,2-thiazol-4-yl)-3-pyridinyl]amino]cyclohexyl]-1,3-thiazole-4-carboxamide
CID 146641044
5-cyclopropyl-1-methyl-3-[(4-phenylcyclohexyl)amino]pyridin-2-one
CID 146640616
2-(cyclobutylamino)-5-(1-methylpyrazol-4-yl)benzoic acid
CID 146095809
N-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]cyclopropanamine
CID 54980066
4-[3-(1-methylpyrazol-4-yl)-1-sulfanylpyrrolo[2,3-b]pyridin-5-yl]-N-propan-2-ylcyclohexan-1-amine
CID 69051327
6-chloro-N-(2-fluoro-3-hydroxy-3-methylbutyl)-4-[[4-(1-methylpyrazol-4-yl)cyclohexyl]amino]pyridine-3-carboxamide
CID 146381870

Frequently Asked Questions

What is the IUPAC name of 1-(2-methylpropyl)-5-(1-methylpyrazol-4-yl)-3-[(4-pyrimidin-5-ylcyclohexyl)amino]pyridin-2-one?
The IUPAC name of 1-(2-methylpropyl)-5-(1-methylpyrazol-4-yl)-3-[(4-pyrimidin-5-ylcyclohexyl)amino]pyridin-2-one (CID 146640961) is 1-(2-methylpropyl)-5-(1-methylpyrazol-4-yl)-3-[(4-pyrimidin-5-ylcyclohexyl)amino]pyridin-2-one.
What is the SMILES notation for 1-(2-methylpropyl)-5-(1-methylpyrazol-4-yl)-3-[(4-pyrimidin-5-ylcyclohexyl)amino]pyridin-2-one?
The canonical SMILES for 1-(2-methylpropyl)-5-(1-methylpyrazol-4-yl)-3-[(4-pyrimidin-5-ylcyclohexyl)amino]pyridin-2-one is CC(C)Cn1cc(-c2cnn(C)c2)cc(NC2CCC(c3cncnc3)CC2)c1=O.
What is the InChIKey of 1-(2-methylpropyl)-5-(1-methylpyrazol-4-yl)-3-[(4-pyrimidin-5-ylcyclohexyl)amino]pyridin-2-one?
The InChIKey is NOMPHFVCXYKAAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N6O/c1-16(2)12-29-14-18(20-11-26-28(3)13-20)8-22(23(29)30)27-21-6-4-17(5-7-21)19-9-24-15-25-10-19/h8-11,13-17,21,27H,4-7,12H2,1-3H3.
What are the key properties of 1-(2-methylpropyl)-5-(1-methylpyrazol-4-yl)-3-[(4-pyrimidin-5-ylcyclohexyl)amino]pyridin-2-one?
1-(2-methylpropyl)-5-(1-methylpyrazol-4-yl)-3-[(4-pyrimidin-5-ylcyclohexyl)amino]pyridin-2-one has a molecular weight of 406.53 g/mol, XLogP of 3.83, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylpropyl)-5-(1-methylpyrazol-4-yl)-3-[(4-pyrimidin-5-ylcyclohexyl)amino]pyridin-2-one is sourced from PubChem (CID 146640961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).