1-methyl-N-[4-methyl-3-(1-methyl-5-morpholin-4-yl-6-oxo-3-pyridinyl)phenyl]-3-(trifluoromethyl)pyrazole-5-carboxamide

C23H24F3N5O3 — CID 90456222

IUPAC1-methyl-N-[4-methyl-3-(1-methyl-5-morpholin-4-yl-6-oxo-3-pyridinyl)phenyl]-3-(trifluoromethyl)pyrazole-5-carboxamide
SMILESCc1ccc(NC(=O)c2cc(C(F)(F)F)nn2C)cc1-c1cc(N2CCOCC2)c(=O)n(C)c1
InChIInChI=1S/C23H24F3N5O3/c1-14-4-5-16(27-21(32)18-12-20(23(24,25)26)28-30(18)3)11-17(14)15-10-19(22(33)29(2)13-15)31-6-8-34-9-7-31/h4-5,10-13H,6-9H2,1-3H3,(H,27,32)
InChIKeySRMCYNSAIDBEID-UHFFFAOYSA-N
MW475.47 g/mol
LogP3.20
Rot. Bonds4

About 1-methyl-N-[4-methyl-3-(1-methyl-5-morpholin-4-yl-6-oxo-3-pyridinyl)phenyl]-3-(trifluoromethyl)pyrazole-5-carboxamide

1-methyl-N-[4-methyl-3-(1-methyl-5-morpholin-4-yl-6-oxo-3-pyridinyl)phenyl]-3-(trifluoromethyl)pyrazole-5-carboxamide (PubChem CID 90456222) has the molecular formula C23H24F3N5O3 and a molecular weight of 475.47 g/mol. Its IUPAC name is 1-methyl-N-[4-methyl-3-(1-methyl-5-morpholin-4-yl-6-oxo-3-pyridinyl)phenyl]-3-(trifluoromethyl)pyrazole-5-carboxamide.

Molecular Properties

Compound Name1-methyl-N-[4-methyl-3-(1-methyl-5-morpholin-4-yl-6-oxo-3-pyridinyl)phenyl]-3-(trifluoromethyl)pyrazole-5-carboxamide
PubChem CID90456222
Molecular FormulaC23H24F3N5O3
Molecular Weight475.47 g/mol
Exact Mass475.18
IUPAC Name1-methyl-N-[4-methyl-3-(1-methyl-5-morpholin-4-yl-6-oxo-3-pyridinyl)phenyl]-3-(trifluoromethyl)pyrazole-5-carboxamide
SMILESCc1ccc(NC(=O)c2cc(C(F)(F)F)nn2C)cc1-c1cc(N2CCOCC2)c(=O)n(C)c1
InChIInChI=1S/C23H24F3N5O3/c1-14-4-5-16(27-21(32)18-12-20(23(24,25)26)28-30(18)3)11-17(14)15-10-19(22(33)29(2)13-15)31-6-8-34-9-7-31/h4-5,10-13H,6-9H2,1-3H3,(H,27,32)
InChIKeySRMCYNSAIDBEID-UHFFFAOYSA-N
XLogP3.20
TPSA81.39 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.47
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-[4-methyl-3-(1-methyl-5-morpholin-4-yl-6-oxo-3-pyridinyl)phenyl]-3-(trifluoromethyl)pyrazole-5-carboxamide?
The IUPAC name of 1-methyl-N-[4-methyl-3-(1-methyl-5-morpholin-4-yl-6-oxo-3-pyridinyl)phenyl]-3-(trifluoromethyl)pyrazole-5-carboxamide (CID 90456222) is 1-methyl-N-[4-methyl-3-(1-methyl-5-morpholin-4-yl-6-oxo-3-pyridinyl)phenyl]-3-(trifluoromethyl)pyrazole-5-carboxamide.
What is the SMILES notation for 1-methyl-N-[4-methyl-3-(1-methyl-5-morpholin-4-yl-6-oxo-3-pyridinyl)phenyl]-3-(trifluoromethyl)pyrazole-5-carboxamide?
The canonical SMILES for 1-methyl-N-[4-methyl-3-(1-methyl-5-morpholin-4-yl-6-oxo-3-pyridinyl)phenyl]-3-(trifluoromethyl)pyrazole-5-carboxamide is Cc1ccc(NC(=O)c2cc(C(F)(F)F)nn2C)cc1-c1cc(N2CCOCC2)c(=O)n(C)c1.
What is the InChIKey of 1-methyl-N-[4-methyl-3-(1-methyl-5-morpholin-4-yl-6-oxo-3-pyridinyl)phenyl]-3-(trifluoromethyl)pyrazole-5-carboxamide?
The InChIKey is SRMCYNSAIDBEID-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24F3N5O3/c1-14-4-5-16(27-21(32)18-12-20(23(24,25)26)28-30(18)3)11-17(14)15-10-19(22(33)29(2)13-15)31-6-8-34-9-7-31/h4-5,10-13H,6-9H2,1-3H3,(H,27,32).
What are the key properties of 1-methyl-N-[4-methyl-3-(1-methyl-5-morpholin-4-yl-6-oxo-3-pyridinyl)phenyl]-3-(trifluoromethyl)pyrazole-5-carboxamide?
1-methyl-N-[4-methyl-3-(1-methyl-5-morpholin-4-yl-6-oxo-3-pyridinyl)phenyl]-3-(trifluoromethyl)pyrazole-5-carboxamide has a molecular weight of 475.47 g/mol, XLogP of 3.20, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-[4-methyl-3-(1-methyl-5-morpholin-4-yl-6-oxo-3-pyridinyl)phenyl]-3-(trifluoromethyl)pyrazole-5-carboxamide is sourced from PubChem (CID 90456222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).