N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-6-[(3S)-3-methylmorpholin-4-yl]-2-(1-methylpyrazol-4-yl)-5-(trifluoromethyl)pyrimidine-4-carboxamide

C23H26F3N7O3 — CID 118324639

IUPACN-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-6-[(3S)-3-methylmorpholin-4-yl]-2-(1-methylpyrazol-4-yl)-5-(trifluoromethyl)pyrimidine-4-carboxamide
SMILESCc1cc(C)c(CNC(=O)c2nc(-c3cnn(C)c3)nc(N3CCOC[C@@H]3C)c2C(F)(F)F)c(=O)[nH]1
InChIInChI=1S/C23H26F3N7O3/c1-12-7-13(2)29-21(34)16(12)9-27-22(35)18-17(23(24,25)26)20(33-5-6-36-11-14(33)3)31-19(30-18)15-8-28-32(4)10-15/h7-8,10,14H,5-6,9,11H2,1-4H3,(H,27,35)(H,29,34)/t14-/m0/s1
InChIKeyPPVDAGRNYNZXHQ-AWEZNQCLSA-N
MW505.50 g/mol
LogP2.36
Rot. Bonds5

About N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-6-[(3S)-3-methylmorpholin-4-yl]-2-(1-methylpyrazol-4-yl)-5-(trifluoromethyl)pyrimidine-4-carboxamide

N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-6-[(3S)-3-methylmorpholin-4-yl]-2-(1-methylpyrazol-4-yl)-5-(trifluoromethyl)pyrimidine-4-carboxamide (PubChem CID 118324639) has the molecular formula C23H26F3N7O3 and a molecular weight of 505.50 g/mol. Its IUPAC name is N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-6-[(3S)-3-methylmorpholin-4-yl]-2-(1-methylpyrazol-4-yl)-5-(trifluoromethyl)pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-6-[(3S)-3-methylmorpholin-4-yl]-2-(1-methylpyrazol-4-yl)-5-(trifluoromethyl)pyrimidine-4-carboxamide
PubChem CID118324639
Molecular FormulaC23H26F3N7O3
Molecular Weight505.50 g/mol
Exact Mass505.20
IUPAC NameN-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-6-[(3S)-3-methylmorpholin-4-yl]-2-(1-methylpyrazol-4-yl)-5-(trifluoromethyl)pyrimidine-4-carboxamide
SMILESCc1cc(C)c(CNC(=O)c2nc(-c3cnn(C)c3)nc(N3CCOC[C@@H]3C)c2C(F)(F)F)c(=O)[nH]1
InChIInChI=1S/C23H26F3N7O3/c1-12-7-13(2)29-21(34)16(12)9-27-22(35)18-17(23(24,25)26)20(33-5-6-36-11-14(33)3)31-19(30-18)15-8-28-32(4)10-15/h7-8,10,14H,5-6,9,11H2,1-4H3,(H,27,35)(H,29,34)/t14-/m0/s1
InChIKeyPPVDAGRNYNZXHQ-AWEZNQCLSA-N
XLogP2.36
TPSA118.03 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500505.50
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-6-[(3S)-3-methylmorpholin-4-yl]-2-(1-methylpyrazol-4-yl)-5-(trifluoromethyl)pyrimidine-4-carboxamide with MolForge

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Related Compounds

[4,5-dimethyl-6-[2-(1H-pyrazol-4-yl)ethylamino]pyrimidin-2-yl]-[3-(trifluoromethyl)morpholin-4-yl]methanone
CID 164552912
2-methyl-N-(2-((2-methyl-6-morpholinopyrimidin-4-yl)amino)ethyl)-6-(1H-pyrazol-1-yl)pyrimidine-4-carboxamide
CID 71799641
N-[(1,5-dimethyl-1H-pyrazol-4-yl)methyl]-6-methyl-2-(morpholin-4-yl)pyrimidine-4-carboxamide
CID 56731238
N-[[(3R)-1-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)piperidin-3-yl]methyl]-2-methylpyrazole-3-carboxamide
CID 164637213
1-[4-[(4,4-Difluorocyclohexyl)amino]-6-morpholin-4-ylpyrimidin-2-yl]-4-methylpyrazole-3-carbaldehyde
CID 139300397
2-(6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-5-yl)-N-(2-methoxyethyl)-6-[[(2S)-1-oxo-1-(2,2,2-trifluoroethylamino)propan-2-yl]amino]pyrimidine-4-carboxamide
CID 143435827
4,8-Dimethyl-7-propan-2-yl-2-[[1-[2-(2,2,2-trifluoroethoxy)ethyl]pyrazol-4-yl]methylamino]-5,7-dihydropteridin-6-one
CID 146202811
(7S)-4,8-dimethyl-7-propan-2-yl-2-[[1-[2-(2,2,2-trifluoroethoxy)ethyl]pyrazol-4-yl]methylamino]-5,7-dihydropteridin-6-one
CID 153444554
N-[(2,4-dimethyl-6-oxocyclohexa-1,3-dien-1-yl)methyl]-6-[(3S)-3-methylmorpholin-4-yl]-2-(1-methylpyrazol-4-yl)-5-(trifluoromethyl)pyrimidine-4-carboxamide
CID 157209884
1-[1-[3-oxo-3-[4-[5-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]propoxy]propan-2-yl]-3-(trifluoromethyl)-5H-pyrazolo[4,3-c]pyridin-4-one
CID 165392928
1-[2-[3-oxo-3-[4-[5-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]propoxy]ethyl]-3-(trifluoromethyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 165393197
[1-[(2S)-2-aminopropyl]pyrazol-3-yl]-[4-[5-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]methanone
CID 167472067

Frequently Asked Questions

What is the IUPAC name of N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-6-[(3S)-3-methylmorpholin-4-yl]-2-(1-methylpyrazol-4-yl)-5-(trifluoromethyl)pyrimidine-4-carboxamide?
The IUPAC name of N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-6-[(3S)-3-methylmorpholin-4-yl]-2-(1-methylpyrazol-4-yl)-5-(trifluoromethyl)pyrimidine-4-carboxamide (CID 118324639) is N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-6-[(3S)-3-methylmorpholin-4-yl]-2-(1-methylpyrazol-4-yl)-5-(trifluoromethyl)pyrimidine-4-carboxamide.
What is the SMILES notation for N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-6-[(3S)-3-methylmorpholin-4-yl]-2-(1-methylpyrazol-4-yl)-5-(trifluoromethyl)pyrimidine-4-carboxamide?
The canonical SMILES for N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-6-[(3S)-3-methylmorpholin-4-yl]-2-(1-methylpyrazol-4-yl)-5-(trifluoromethyl)pyrimidine-4-carboxamide is Cc1cc(C)c(CNC(=O)c2nc(-c3cnn(C)c3)nc(N3CCOC[C@@H]3C)c2C(F)(F)F)c(=O)[nH]1.
What is the InChIKey of N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-6-[(3S)-3-methylmorpholin-4-yl]-2-(1-methylpyrazol-4-yl)-5-(trifluoromethyl)pyrimidine-4-carboxamide?
The InChIKey is PPVDAGRNYNZXHQ-AWEZNQCLSA-N. The full InChI is InChI=1S/C23H26F3N7O3/c1-12-7-13(2)29-21(34)16(12)9-27-22(35)18-17(23(24,25)26)20(33-5-6-36-11-14(33)3)31-19(30-18)15-8-28-32(4)10-15/h7-8,10,14H,5-6,9,11H2,1-4H3,(H,27,35)(H,29,34)/t14-/m0/s1.
What are the key properties of N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-6-[(3S)-3-methylmorpholin-4-yl]-2-(1-methylpyrazol-4-yl)-5-(trifluoromethyl)pyrimidine-4-carboxamide?
N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-6-[(3S)-3-methylmorpholin-4-yl]-2-(1-methylpyrazol-4-yl)-5-(trifluoromethyl)pyrimidine-4-carboxamide has a molecular weight of 505.50 g/mol, XLogP of 2.36, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-6-[(3S)-3-methylmorpholin-4-yl]-2-(1-methylpyrazol-4-yl)-5-(trifluoromethyl)pyrimidine-4-carboxamide is sourced from PubChem (CID 118324639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).