3-(2-methoxy-4-morpholin-4-ylphenyl)-4-N-pyridin-3-yl-5-(trifluoromethyl)pyridine-2,4-diamine

C22H22F3N5O2 — CID 66958257

IUPAC3-(2-methoxy-4-morpholin-4-ylphenyl)-4-N-pyridin-3-yl-5-(trifluoromethyl)pyridine-2,4-diamine
SMILESCOc1cc(N2CCOCC2)ccc1-c1c(N)ncc(C(F)(F)F)c1Nc1cccnc1
InChIInChI=1S/C22H22F3N5O2/c1-31-18-11-15(30-7-9-32-10-8-30)4-5-16(18)19-20(29-14-3-2-6-27-12-14)17(22(23,24)25)13-28-21(19)26/h2-6,11-13H,7-10H2,1H3,(H3,26,28,29)
InChIKeyQEECHZADZGAURZ-UHFFFAOYSA-N
MW445.45 g/mol
LogP4.33
Rot. Bonds5

About 3-(2-methoxy-4-morpholin-4-ylphenyl)-4-N-pyridin-3-yl-5-(trifluoromethyl)pyridine-2,4-diamine

3-(2-methoxy-4-morpholin-4-ylphenyl)-4-N-pyridin-3-yl-5-(trifluoromethyl)pyridine-2,4-diamine (PubChem CID 66958257) has the molecular formula C22H22F3N5O2 and a molecular weight of 445.45 g/mol. Its IUPAC name is 3-(2-methoxy-4-morpholin-4-ylphenyl)-4-N-pyridin-3-yl-5-(trifluoromethyl)pyridine-2,4-diamine.

Molecular Properties

Compound Name3-(2-methoxy-4-morpholin-4-ylphenyl)-4-N-pyridin-3-yl-5-(trifluoromethyl)pyridine-2,4-diamine
PubChem CID66958257
Molecular FormulaC22H22F3N5O2
Molecular Weight445.45 g/mol
Exact Mass445.17
IUPAC Name3-(2-methoxy-4-morpholin-4-ylphenyl)-4-N-pyridin-3-yl-5-(trifluoromethyl)pyridine-2,4-diamine
SMILESCOc1cc(N2CCOCC2)ccc1-c1c(N)ncc(C(F)(F)F)c1Nc1cccnc1
InChIInChI=1S/C22H22F3N5O2/c1-31-18-11-15(30-7-9-32-10-8-30)4-5-16(18)19-20(29-14-3-2-6-27-12-14)17(22(23,24)25)13-28-21(19)26/h2-6,11-13H,7-10H2,1H3,(H3,26,28,29)
InChIKeyQEECHZADZGAURZ-UHFFFAOYSA-N
XLogP4.33
TPSA85.53 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.45
LogP ≤ 54.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-[2-[[2-(2-methoxy-4-morpholin-4-ylanilino)-5-(trifluoromethyl)-4-pyridinyl]amino]phenyl]acetamide
CID 66957852
2-chloro-N-pyridin-2-yl-5-(trifluoromethyl)pyridin-4-amine;2-methoxy-5-morpholin-4-ylaniline;bis(2-N-(2-methyl-5-morpholin-4-ylphenyl)-4-N-pyridin-2-yl-5-(trifluoromethyl)pyridine-2,4-diamine)
CID 159187874
6-morpholin-4-yl-N-pyridin-3-ylpyrimidin-4-amine
CID 122282498
7'-[2-(2-methoxy-4-morpholin-4-ylanilino)-5-(trifluoromethyl)pyrimidin-4-yl]oxy-2'-methylspiro[cyclopropane-1,3'-isoindole]-1'-one
CID 176733260
2-N-[2-(2-fluoroethoxy)-4-morpholin-4-ylphenyl]-4-N-methyl-5-(trifluoromethyl)pyrimidine-2,4-diamine
CID 141339238
4-[4-(1,1-dimethoxyethyl)-3-methoxyphenyl]morpholine
CID 174708451
4-(2-methoxy-5-morpholin-4-ylphenyl)-1-methylpyrazol-5-amine
CID 117465938
2-[[2-(2-methoxy-4-morpholin-4-ylanilino)-5-(trifluoromethyl)-4-pyridinyl]amino]-N-methylbenzamide;2,2,2-trifluoroacetic acid
CID 131865374
N-(3-methoxyphenyl)-4-morpholin-4-yl-6-[4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]pyrimidin-2-amine
CID 11656486
4-[2-(4-morpholin-4-ylanilino)-5-(trifluoromethyl)pyrimidin-4-yl]piperazine-1-carboxamide
CID 175343864
7-[[2-(2-methoxy-4-morpholin-4-ylanilino)-5-(trifluoromethyl)-4-pyridinyl]amino]-2-methyl-3H-isoindol-1-one;2,2,2-trifluoroacetic acid
CID 117074192
3-fluoro-4-(3-methoxy-2-pyridinyl)-N-(4-morpholin-4-ylphenyl)benzamide
CID 59672860

Frequently Asked Questions

What is the IUPAC name of 3-(2-methoxy-4-morpholin-4-ylphenyl)-4-N-pyridin-3-yl-5-(trifluoromethyl)pyridine-2,4-diamine?
The IUPAC name of 3-(2-methoxy-4-morpholin-4-ylphenyl)-4-N-pyridin-3-yl-5-(trifluoromethyl)pyridine-2,4-diamine (CID 66958257) is 3-(2-methoxy-4-morpholin-4-ylphenyl)-4-N-pyridin-3-yl-5-(trifluoromethyl)pyridine-2,4-diamine.
What is the SMILES notation for 3-(2-methoxy-4-morpholin-4-ylphenyl)-4-N-pyridin-3-yl-5-(trifluoromethyl)pyridine-2,4-diamine?
The canonical SMILES for 3-(2-methoxy-4-morpholin-4-ylphenyl)-4-N-pyridin-3-yl-5-(trifluoromethyl)pyridine-2,4-diamine is COc1cc(N2CCOCC2)ccc1-c1c(N)ncc(C(F)(F)F)c1Nc1cccnc1.
What is the InChIKey of 3-(2-methoxy-4-morpholin-4-ylphenyl)-4-N-pyridin-3-yl-5-(trifluoromethyl)pyridine-2,4-diamine?
The InChIKey is QEECHZADZGAURZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22F3N5O2/c1-31-18-11-15(30-7-9-32-10-8-30)4-5-16(18)19-20(29-14-3-2-6-27-12-14)17(22(23,24)25)13-28-21(19)26/h2-6,11-13H,7-10H2,1H3,(H3,26,28,29).
What are the key properties of 3-(2-methoxy-4-morpholin-4-ylphenyl)-4-N-pyridin-3-yl-5-(trifluoromethyl)pyridine-2,4-diamine?
3-(2-methoxy-4-morpholin-4-ylphenyl)-4-N-pyridin-3-yl-5-(trifluoromethyl)pyridine-2,4-diamine has a molecular weight of 445.45 g/mol, XLogP of 4.33, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methoxy-4-morpholin-4-ylphenyl)-4-N-pyridin-3-yl-5-(trifluoromethyl)pyridine-2,4-diamine is sourced from PubChem (CID 66958257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).