N-[3-[2-[[(2R)-1-hydroxypropan-2-yl]amino]-6-morpholin-4-ylpyrimidin-4-yl]-4-methylphenyl]-5-(trifluoromethyl)pyridazine-3-carboxamide

C24H26F3N7O3 — CID 176803148

IUPACN-[3-[2-[[(2R)-1-hydroxypropan-2-yl]amino]-6-morpholin-4-ylpyrimidin-4-yl]-4-methylphenyl]-5-(trifluoromethyl)pyridazine-3-carboxamide
SMILESCc1ccc(NC(=O)c2cc(C(F)(F)F)cnn2)cc1-c1cc(N2CCOCC2)nc(N[C@H](C)CO)n1
InChIInChI=1S/C24H26F3N7O3/c1-14-3-4-17(30-22(36)20-9-16(12-28-33-20)24(25,26)27)10-18(14)19-11-21(34-5-7-37-8-6-34)32-23(31-19)29-15(2)13-35/h3-4,9-12,15,35H,5-8,13H2,1-2H3,(H,30,36)(H,29,31,32)/t15-/m1/s1
InChIKeyXMZSJQOKZXFRHE-OAHLLOKOSA-N
MW517.51 g/mol
LogP3.14
Rot. Bonds7

About N-[3-[2-[[(2R)-1-hydroxypropan-2-yl]amino]-6-morpholin-4-ylpyrimidin-4-yl]-4-methylphenyl]-5-(trifluoromethyl)pyridazine-3-carboxamide

N-[3-[2-[[(2R)-1-hydroxypropan-2-yl]amino]-6-morpholin-4-ylpyrimidin-4-yl]-4-methylphenyl]-5-(trifluoromethyl)pyridazine-3-carboxamide (PubChem CID 176803148) has the molecular formula C24H26F3N7O3 and a molecular weight of 517.51 g/mol. Its IUPAC name is N-[3-[2-[[(2R)-1-hydroxypropan-2-yl]amino]-6-morpholin-4-ylpyrimidin-4-yl]-4-methylphenyl]-5-(trifluoromethyl)pyridazine-3-carboxamide.

Molecular Properties

Compound NameN-[3-[2-[[(2R)-1-hydroxypropan-2-yl]amino]-6-morpholin-4-ylpyrimidin-4-yl]-4-methylphenyl]-5-(trifluoromethyl)pyridazine-3-carboxamide
PubChem CID176803148
Molecular FormulaC24H26F3N7O3
Molecular Weight517.51 g/mol
Exact Mass517.20
IUPAC NameN-[3-[2-[[(2R)-1-hydroxypropan-2-yl]amino]-6-morpholin-4-ylpyrimidin-4-yl]-4-methylphenyl]-5-(trifluoromethyl)pyridazine-3-carboxamide
SMILESCc1ccc(NC(=O)c2cc(C(F)(F)F)cnn2)cc1-c1cc(N2CCOCC2)nc(N[C@H](C)CO)n1
InChIInChI=1S/C24H26F3N7O3/c1-14-3-4-17(30-22(36)20-9-16(12-28-33-20)24(25,26)27)10-18(14)19-11-21(34-5-7-37-8-6-34)32-23(31-19)29-15(2)13-35/h3-4,9-12,15,35H,5-8,13H2,1-2H3,(H,30,36)(H,29,31,32)/t15-/m1/s1
InChIKeyXMZSJQOKZXFRHE-OAHLLOKOSA-N
XLogP3.14
TPSA125.39 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500517.51
LogP ≤ 53.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Analyze N-[3-[2-[[(2R)-1-hydroxypropan-2-yl]amino]-6-morpholin-4-ylpyrimidin-4-yl]-4-methylphenyl]-5-(trifluoromethyl)pyridazine-3-carboxamide with MolForge

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Related Compounds

N-[4-methyl-3-(4-morpholin-4-ylpyrimidin-2-yl)phenyl]-5-(trifluoromethyl)pyridazine-3-carboxamide
CID 176803184
N-[4-methyl-3-(5-morpholin-4-yl-3-pyridinyl)phenyl]-5-(trifluoromethyl)pyridazine-3-carboxamide
CID 176803173
2-chloro-N-[3-[2-(1-hydroxypropan-2-ylamino)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]pyrimidine-5-carboxamide
CID 177153017
5-methyl-N-[4-methyl-3-(6-morpholin-4-ylpyrazin-2-yl)phenyl]pyridazine-3-carboxamide
CID 177153123
5-chloro-N-[3-[2-(2-hydroxyethoxy)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]pyridazine-3-carboxamide
CID 176803137
2-(2-cyanopropan-2-yl)-N-[3-[2-[[(2S)-2-hydroxypropyl]amino]-6-morpholin-4-ylpyrimidin-4-yl]-4-methylphenyl]pyridine-4-carboxamide
CID 90462501
N-[4-methyl-3-(2-morpholin-4-ylpyrimidin-4-yl)phenyl]-5-propan-2-ylpyridazine-3-carboxamide
CID 176803150
N-[3-[6-[[(2S)-1-hydroxypropan-2-yl]amino]-2-morpholin-4-ylpyrimidin-4-yl]-4-methylphenyl]-3-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide
CID 162468128
N-[3-[2-(ethylamino)-6-morpholin-4-ylpyrimidin-4-yl]-4-methylphenyl]-2-(2-hydroxypropan-2-yl)pyridine-4-carboxamide
CID 90461015
[(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
N-[5-[2-(ethylamino)-6-morpholin-4-ylpyrimidin-4-yl]-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide
CID 90456804
N-[4-methyl-3-[2-morpholin-4-yl-6-[(3S)-4,4,4-trifluoro-3-hydroxybut-1-ynyl]-4-pyridinyl]phenyl]-2-(trifluoromethyl)pyridine-4-carboxamide;sulfane
CID 165107587

Frequently Asked Questions

What is the IUPAC name of N-[3-[2-[[(2R)-1-hydroxypropan-2-yl]amino]-6-morpholin-4-ylpyrimidin-4-yl]-4-methylphenyl]-5-(trifluoromethyl)pyridazine-3-carboxamide?
The IUPAC name of N-[3-[2-[[(2R)-1-hydroxypropan-2-yl]amino]-6-morpholin-4-ylpyrimidin-4-yl]-4-methylphenyl]-5-(trifluoromethyl)pyridazine-3-carboxamide (CID 176803148) is N-[3-[2-[[(2R)-1-hydroxypropan-2-yl]amino]-6-morpholin-4-ylpyrimidin-4-yl]-4-methylphenyl]-5-(trifluoromethyl)pyridazine-3-carboxamide.
What is the SMILES notation for N-[3-[2-[[(2R)-1-hydroxypropan-2-yl]amino]-6-morpholin-4-ylpyrimidin-4-yl]-4-methylphenyl]-5-(trifluoromethyl)pyridazine-3-carboxamide?
The canonical SMILES for N-[3-[2-[[(2R)-1-hydroxypropan-2-yl]amino]-6-morpholin-4-ylpyrimidin-4-yl]-4-methylphenyl]-5-(trifluoromethyl)pyridazine-3-carboxamide is Cc1ccc(NC(=O)c2cc(C(F)(F)F)cnn2)cc1-c1cc(N2CCOCC2)nc(N[C@H](C)CO)n1.
What is the InChIKey of N-[3-[2-[[(2R)-1-hydroxypropan-2-yl]amino]-6-morpholin-4-ylpyrimidin-4-yl]-4-methylphenyl]-5-(trifluoromethyl)pyridazine-3-carboxamide?
The InChIKey is XMZSJQOKZXFRHE-OAHLLOKOSA-N. The full InChI is InChI=1S/C24H26F3N7O3/c1-14-3-4-17(30-22(36)20-9-16(12-28-33-20)24(25,26)27)10-18(14)19-11-21(34-5-7-37-8-6-34)32-23(31-19)29-15(2)13-35/h3-4,9-12,15,35H,5-8,13H2,1-2H3,(H,30,36)(H,29,31,32)/t15-/m1/s1.
What are the key properties of N-[3-[2-[[(2R)-1-hydroxypropan-2-yl]amino]-6-morpholin-4-ylpyrimidin-4-yl]-4-methylphenyl]-5-(trifluoromethyl)pyridazine-3-carboxamide?
N-[3-[2-[[(2R)-1-hydroxypropan-2-yl]amino]-6-morpholin-4-ylpyrimidin-4-yl]-4-methylphenyl]-5-(trifluoromethyl)pyridazine-3-carboxamide has a molecular weight of 517.51 g/mol, XLogP of 3.14, 7 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[2-[[(2R)-1-hydroxypropan-2-yl]amino]-6-morpholin-4-ylpyrimidin-4-yl]-4-methylphenyl]-5-(trifluoromethyl)pyridazine-3-carboxamide is sourced from PubChem (CID 176803148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).