4-(1-methylpyrazol-4-yl)-7-[[5-methyl-2-(trifluoromethyl)morpholin-4-yl]methyl]quinoline-2-carboxamide

C21H22F3N5O2 — CID 123492353

IUPAC4-(1-methylpyrazol-4-yl)-7-[[5-methyl-2-(trifluoromethyl)morpholin-4-yl]methyl]quinoline-2-carboxamide
SMILESCC1COC(C(F)(F)F)CN1Cc1ccc2c(-c3cnn(C)c3)cc(C(N)=O)nc2c1
InChIInChI=1S/C21H22F3N5O2/c1-12-11-31-19(21(22,23)24)10-29(12)8-13-3-4-15-16(14-7-26-28(2)9-14)6-18(20(25)30)27-17(15)5-13/h3-7,9,12,19H,8,10-11H2,1-2H3,(H2,25,30)
InChIKeyPNGXKFXLAGIZHQ-UHFFFAOYSA-N
MW433.43 g/mol
LogP2.89
Rot. Bonds4

About 4-(1-methylpyrazol-4-yl)-7-[[5-methyl-2-(trifluoromethyl)morpholin-4-yl]methyl]quinoline-2-carboxamide

4-(1-methylpyrazol-4-yl)-7-[[5-methyl-2-(trifluoromethyl)morpholin-4-yl]methyl]quinoline-2-carboxamide (PubChem CID 123492353) has the molecular formula C21H22F3N5O2 and a molecular weight of 433.43 g/mol. Its IUPAC name is 4-(1-methylpyrazol-4-yl)-7-[[5-methyl-2-(trifluoromethyl)morpholin-4-yl]methyl]quinoline-2-carboxamide.

Molecular Properties

Compound Name4-(1-methylpyrazol-4-yl)-7-[[5-methyl-2-(trifluoromethyl)morpholin-4-yl]methyl]quinoline-2-carboxamide
PubChem CID123492353
Molecular FormulaC21H22F3N5O2
Molecular Weight433.43 g/mol
Exact Mass433.17
IUPAC Name4-(1-methylpyrazol-4-yl)-7-[[5-methyl-2-(trifluoromethyl)morpholin-4-yl]methyl]quinoline-2-carboxamide
SMILESCC1COC(C(F)(F)F)CN1Cc1ccc2c(-c3cnn(C)c3)cc(C(N)=O)nc2c1
InChIInChI=1S/C21H22F3N5O2/c1-12-11-31-19(21(22,23)24)10-29(12)8-13-3-4-15-16(14-7-26-28(2)9-14)6-18(20(25)30)27-17(15)5-13/h3-7,9,12,19H,8,10-11H2,1-2H3,(H2,25,30)
InChIKeyPNGXKFXLAGIZHQ-UHFFFAOYSA-N
XLogP2.89
TPSA86.27 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.43
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

Quinoline derivative 6
CID 89554734
4-(1-methylpyrazol-4-yl)-7-[[(2~{S})-2-(trifluoromethyl)morpholin-4-yl]methyl]quinoline-2-carboxamide
CID 117641885
[5-Amino-8-[4-(1-methylpyrazol-4-yl)phenyl]-1,6-naphthyridin-2-yl]-(3-methoxyazetidin-1-yl)methanone
CID 118660867
4-(2-(6-methylpyridin-2-yl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl)quinoline-7-carboxamide
CID 53316426
N-methyl-8-[4-(1-methylpyrazol-4-yl)phenyl]-1,6-naphthyridine-2-carboxamide
CID 118660644
8-[4-(1-Methylpyrazol-4-yl)phenyl]-1,6-naphthyridine-2-carboxamide
CID 118660845
(S)-8-Fluoro-4-(1-methyl-1H-pyrazol-4-yl)-7-((2-(trifluoromethyl)morpholino)methyl)quinoline-2-carboxamide
CID 89545211
Quinoline derivative 5
CID 89554809
N-(5-Isoquinolinyl)-1-[3-(trifluoromethyl)phenyl]-5-methyl-1H-pyrazole-3-carboxamide
CID 9908720
N-(5-Quinolinyl)-1-[3-(trifluoromethyl)phenyl]-5-methyl-1H-pyrazole-3-carboxamide
CID 10430847
Propan-2-yl 4-[5-(4-carbamoyl-2,5-difluorophenyl)pyrazolo[3,4-c]pyridin-1-yl]piperidine-1-carboxylate
CID 68021978
Propan-2-yl 4-[5-(4-carbamoyl-2-fluorophenyl)pyrazolo[3,4-c]pyridin-1-yl]piperidine-1-carboxylate
CID 68022271

Frequently Asked Questions

What is the IUPAC name of 4-(1-methylpyrazol-4-yl)-7-[[5-methyl-2-(trifluoromethyl)morpholin-4-yl]methyl]quinoline-2-carboxamide?
The IUPAC name of 4-(1-methylpyrazol-4-yl)-7-[[5-methyl-2-(trifluoromethyl)morpholin-4-yl]methyl]quinoline-2-carboxamide (CID 123492353) is 4-(1-methylpyrazol-4-yl)-7-[[5-methyl-2-(trifluoromethyl)morpholin-4-yl]methyl]quinoline-2-carboxamide.
What is the SMILES notation for 4-(1-methylpyrazol-4-yl)-7-[[5-methyl-2-(trifluoromethyl)morpholin-4-yl]methyl]quinoline-2-carboxamide?
The canonical SMILES for 4-(1-methylpyrazol-4-yl)-7-[[5-methyl-2-(trifluoromethyl)morpholin-4-yl]methyl]quinoline-2-carboxamide is CC1COC(C(F)(F)F)CN1Cc1ccc2c(-c3cnn(C)c3)cc(C(N)=O)nc2c1.
What is the InChIKey of 4-(1-methylpyrazol-4-yl)-7-[[5-methyl-2-(trifluoromethyl)morpholin-4-yl]methyl]quinoline-2-carboxamide?
The InChIKey is PNGXKFXLAGIZHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22F3N5O2/c1-12-11-31-19(21(22,23)24)10-29(12)8-13-3-4-15-16(14-7-26-28(2)9-14)6-18(20(25)30)27-17(15)5-13/h3-7,9,12,19H,8,10-11H2,1-2H3,(H2,25,30).
What are the key properties of 4-(1-methylpyrazol-4-yl)-7-[[5-methyl-2-(trifluoromethyl)morpholin-4-yl]methyl]quinoline-2-carboxamide?
4-(1-methylpyrazol-4-yl)-7-[[5-methyl-2-(trifluoromethyl)morpholin-4-yl]methyl]quinoline-2-carboxamide has a molecular weight of 433.43 g/mol, XLogP of 2.89, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-methylpyrazol-4-yl)-7-[[5-methyl-2-(trifluoromethyl)morpholin-4-yl]methyl]quinoline-2-carboxamide is sourced from PubChem (CID 123492353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).