N-[4-methyl-3-(4-morpholin-4-ylpyrimidin-2-yl)phenyl]-5-(trifluoromethyl)pyridazine-3-carboxamide

C21H19F3N6O2 — CID 176803184

IUPACN-[4-methyl-3-(4-morpholin-4-ylpyrimidin-2-yl)phenyl]-5-(trifluoromethyl)pyridazine-3-carboxamide
SMILESCc1ccc(NC(=O)c2cc(C(F)(F)F)cnn2)cc1-c1nccc(N2CCOCC2)n1
InChIInChI=1S/C21H19F3N6O2/c1-13-2-3-15(27-20(31)17-10-14(12-26-29-17)21(22,23)24)11-16(13)19-25-5-4-18(28-19)30-6-8-32-9-7-30/h2-5,10-12H,6-9H2,1H3,(H,27,31)
InChIKeyPEAVHAQYVWODGZ-UHFFFAOYSA-N
MW444.42 g/mol
LogP3.35
Rot. Bonds4

About N-[4-methyl-3-(4-morpholin-4-ylpyrimidin-2-yl)phenyl]-5-(trifluoromethyl)pyridazine-3-carboxamide

N-[4-methyl-3-(4-morpholin-4-ylpyrimidin-2-yl)phenyl]-5-(trifluoromethyl)pyridazine-3-carboxamide (PubChem CID 176803184) has the molecular formula C21H19F3N6O2 and a molecular weight of 444.42 g/mol. Its IUPAC name is N-[4-methyl-3-(4-morpholin-4-ylpyrimidin-2-yl)phenyl]-5-(trifluoromethyl)pyridazine-3-carboxamide.

Molecular Properties

Compound NameN-[4-methyl-3-(4-morpholin-4-ylpyrimidin-2-yl)phenyl]-5-(trifluoromethyl)pyridazine-3-carboxamide
PubChem CID176803184
Molecular FormulaC21H19F3N6O2
Molecular Weight444.42 g/mol
Exact Mass444.15
IUPAC NameN-[4-methyl-3-(4-morpholin-4-ylpyrimidin-2-yl)phenyl]-5-(trifluoromethyl)pyridazine-3-carboxamide
SMILESCc1ccc(NC(=O)c2cc(C(F)(F)F)cnn2)cc1-c1nccc(N2CCOCC2)n1
InChIInChI=1S/C21H19F3N6O2/c1-13-2-3-15(27-20(31)17-10-14(12-26-29-17)21(22,23)24)11-16(13)19-25-5-4-18(28-19)30-6-8-32-9-7-30/h2-5,10-12H,6-9H2,1H3,(H,27,31)
InChIKeyPEAVHAQYVWODGZ-UHFFFAOYSA-N
XLogP3.35
TPSA93.13 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.42
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[4-methyl-3-(5-morpholin-4-yl-3-pyridinyl)phenyl]-5-(trifluoromethyl)pyridazine-3-carboxamide
CID 176803173
N-[3-[2-[[(2R)-1-hydroxypropan-2-yl]amino]-6-morpholin-4-ylpyrimidin-4-yl]-4-methylphenyl]-5-(trifluoromethyl)pyridazine-3-carboxamide
CID 176803148
5-methyl-N-[4-methyl-3-(6-morpholin-4-ylpyrazin-2-yl)phenyl]pyridazine-3-carboxamide
CID 177153123
N-[4-methyl-3-(2-morpholin-4-ylpyrimidin-4-yl)phenyl]-5-propan-2-ylpyridazine-3-carboxamide
CID 176803150
ethane;N-[4-methyl-3-(4-morpholin-4-yl-6-prop-1-en-2-ylpyrimidin-2-yl)phenyl]-3-(trifluoromethyl)benzamide
CID 144717584
5-chloro-N-[3-[2-(2-hydroxyethoxy)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]pyridazine-3-carboxamide
CID 176803137
N-[3-(2-chloro-6-morpholin-4-yl-4-pyridinyl)-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide;ethane
CID 163255645
[(2R)-2-hydroxy-3-[[4-[2-methyl-5-[[4-(trifluoromethyl)pyridine-2-carbonyl]amino]phenyl]-6-morpholin-4-yl-2-pyridinyl]oxy]propyl] dihydrogen phosphate
CID 118938853
3-(4-ethylpiperazin-1-yl)-N-[4-methyl-3-(2-morpholin-4-yl-4-pyridinyl)phenyl]-5-(trifluoromethyl)benzamide
CID 90408857
N-[3-[3-amino-5-[2-(methylcarbamoyl)-4-pyridinyl]phenyl]-4-methylphenyl]-5-(trifluoromethyl)pyridazine-3-carboxamide
CID 176565448
ditert-butyl [2-hydroxy-3-[[4-[2-methyl-5-[[4-(trifluoromethyl)pyridine-2-carbonyl]amino]phenyl]-6-morpholin-4-yl-2-pyridinyl]oxy]propyl] phosphate
CID 118938871
N-[4-methyl-3-[2-[2-[(1-methylcyclobutanecarbonyl)amino]-4-pyridinyl]-4-pyridinyl]phenyl]-5-(trifluoromethyl)pyridazine-3-carboxamide
CID 176572492

Frequently Asked Questions

What is the IUPAC name of N-[4-methyl-3-(4-morpholin-4-ylpyrimidin-2-yl)phenyl]-5-(trifluoromethyl)pyridazine-3-carboxamide?
The IUPAC name of N-[4-methyl-3-(4-morpholin-4-ylpyrimidin-2-yl)phenyl]-5-(trifluoromethyl)pyridazine-3-carboxamide (CID 176803184) is N-[4-methyl-3-(4-morpholin-4-ylpyrimidin-2-yl)phenyl]-5-(trifluoromethyl)pyridazine-3-carboxamide.
What is the SMILES notation for N-[4-methyl-3-(4-morpholin-4-ylpyrimidin-2-yl)phenyl]-5-(trifluoromethyl)pyridazine-3-carboxamide?
The canonical SMILES for N-[4-methyl-3-(4-morpholin-4-ylpyrimidin-2-yl)phenyl]-5-(trifluoromethyl)pyridazine-3-carboxamide is Cc1ccc(NC(=O)c2cc(C(F)(F)F)cnn2)cc1-c1nccc(N2CCOCC2)n1.
What is the InChIKey of N-[4-methyl-3-(4-morpholin-4-ylpyrimidin-2-yl)phenyl]-5-(trifluoromethyl)pyridazine-3-carboxamide?
The InChIKey is PEAVHAQYVWODGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19F3N6O2/c1-13-2-3-15(27-20(31)17-10-14(12-26-29-17)21(22,23)24)11-16(13)19-25-5-4-18(28-19)30-6-8-32-9-7-30/h2-5,10-12H,6-9H2,1H3,(H,27,31).
What are the key properties of N-[4-methyl-3-(4-morpholin-4-ylpyrimidin-2-yl)phenyl]-5-(trifluoromethyl)pyridazine-3-carboxamide?
N-[4-methyl-3-(4-morpholin-4-ylpyrimidin-2-yl)phenyl]-5-(trifluoromethyl)pyridazine-3-carboxamide has a molecular weight of 444.42 g/mol, XLogP of 3.35, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-methyl-3-(4-morpholin-4-ylpyrimidin-2-yl)phenyl]-5-(trifluoromethyl)pyridazine-3-carboxamide is sourced from PubChem (CID 176803184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).