tert-butyl 3-[6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-2-morpholin-4-ylpyrimidin-4-yl]oxypiperidine-1-carboxylate

C24H31F3N6O4 — CID 59507569

IUPACtert-butyl 3-[6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-2-morpholin-4-ylpyrimidin-4-yl]oxypiperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCCC(Oc2cc(-c3cnc(N)cc3C(F)(F)F)nc(N3CCOCC3)n2)C1
InChIInChI=1S/C24H31F3N6O4/c1-23(2,3)37-22(34)33-6-4-5-15(14-33)36-20-12-18(30-21(31-20)32-7-9-35-10-8-32)16-13-29-19(28)11-17(16)24(25,26)27/h11-13,15H,4-10,14H2,1-3H3,(H2,28,29)
InChIKeyQLWUKXNEDRWSKV-UHFFFAOYSA-N
MW524.54 g/mol
LogP3.75
Rot. Bonds4

About tert-butyl 3-[6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-2-morpholin-4-ylpyrimidin-4-yl]oxypiperidine-1-carboxylate

tert-butyl 3-[6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-2-morpholin-4-ylpyrimidin-4-yl]oxypiperidine-1-carboxylate (PubChem CID 59507569) has the molecular formula C24H31F3N6O4 and a molecular weight of 524.54 g/mol. Its IUPAC name is tert-butyl 3-[6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-2-morpholin-4-ylpyrimidin-4-yl]oxypiperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-[6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-2-morpholin-4-ylpyrimidin-4-yl]oxypiperidine-1-carboxylate
PubChem CID59507569
Molecular FormulaC24H31F3N6O4
Molecular Weight524.54 g/mol
Exact Mass524.24
IUPAC Nametert-butyl 3-[6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-2-morpholin-4-ylpyrimidin-4-yl]oxypiperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCCC(Oc2cc(-c3cnc(N)cc3C(F)(F)F)nc(N3CCOCC3)n2)C1
InChIInChI=1S/C24H31F3N6O4/c1-23(2,3)37-22(34)33-6-4-5-15(14-33)36-20-12-18(30-21(31-20)32-7-9-35-10-8-32)16-13-29-19(28)11-17(16)24(25,26)27/h11-13,15H,4-10,14H2,1-3H3,(H2,28,29)
InChIKeyQLWUKXNEDRWSKV-UHFFFAOYSA-N
XLogP3.75
TPSA115.93 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500524.54
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze tert-butyl 3-[6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-2-morpholin-4-ylpyrimidin-4-yl]oxypiperidine-1-carboxylate with MolForge

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Launch Full Analysis

Related Compounds

Isopropyl 9-anti-({5-Methyl-6-[(2-methylpyridin-3-yl)oxy]pyrimidin-4-yl}oxy)-3-oxa-7-azabicyclo[3.3.1]nonane-7-carboxylate
CID 54584353
propan-2-yl (1S,5R)-9-[5-methyl-6-[(2-methyl-3-pyridinyl)oxy]pyrimidin-4-yl]oxy-3-oxa-7-azabicyclo[3.3.1]nonane-7-carboxylate
CID 46208490
N-(4-methyl-3-pyridinyl)-4-propan-2-yloxy-2-[6-(trifluoromethyl)-3-pyridinyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide
CID 71452252
N-phenyl-4-propan-2-yloxy-2-pyridin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide
CID 71459536
Propan-2-yl 6-[5-methyl-6-[(2-methyl-3-pyridinyl)oxy]pyrimidin-4-yl]-2,6-diazatricyclo[3.3.1.13,7]decane-2-carboxylate
CID 71545377
[(2R)-butan-2-yl] 6-[5-methyl-6-[(2-methyl-3-pyridinyl)oxy]pyrimidin-4-yl]-2,6-diazatricyclo[3.3.1.13,7]decane-2-carboxylate
CID 71545536
[(2S)-butan-2-yl] 6-[5-methyl-6-[(2-methyl-3-pyridinyl)oxy]pyrimidin-4-yl]-2,6-diazatricyclo[3.3.1.13,7]decane-2-carboxylate
CID 71545537
Propan-2-yl 6-[5-ethyl-6-[(2-methyl-3-pyridinyl)oxy]pyrimidin-4-yl]-2,6-diazatricyclo[3.3.1.13,7]decane-2-carboxylate
CID 71546034
[(3S)-3-[[6-[6-amino-5-(trifluoromethyl)pyridin-3-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]oxy]pyrrolidin-1-yl]-(oxan-4-yl)methanone
CID 56654312
{(S)-3-[6-(6-methoxy-5-trifluoromethyl-pyridin-3-yl)-5,6,7,8-tetrahydro-pyrido[4,3-d]pyrimidin-4-yloxy]-pyrrolidin-1-yl}-(4-methyl-piperazin-1-yl)-methanone
CID 57495356
1-(4-{(S)-3-[6-(6-Methoxy-5-trifluoromethyl-pyridin-3-yl)-5,6,7,8-tetrahydro-pyrido[4,3-d]pyrimidin-4-yloxy]-pyrrolidine-1-carbonyl}-piperazin-1-yl)-ethanone
CID 57495360
[(3S)-3-[[6-[6-methoxy-5-(trifluoromethyl)pyridin-3-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]oxy]pyrrolidin-1-yl]-morpholin-4-ylmethanone
CID 66677362

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-[6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-2-morpholin-4-ylpyrimidin-4-yl]oxypiperidine-1-carboxylate?
The IUPAC name of tert-butyl 3-[6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-2-morpholin-4-ylpyrimidin-4-yl]oxypiperidine-1-carboxylate (CID 59507569) is tert-butyl 3-[6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-2-morpholin-4-ylpyrimidin-4-yl]oxypiperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 3-[6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-2-morpholin-4-ylpyrimidin-4-yl]oxypiperidine-1-carboxylate?
The canonical SMILES for tert-butyl 3-[6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-2-morpholin-4-ylpyrimidin-4-yl]oxypiperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCCC(Oc2cc(-c3cnc(N)cc3C(F)(F)F)nc(N3CCOCC3)n2)C1.
What is the InChIKey of tert-butyl 3-[6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-2-morpholin-4-ylpyrimidin-4-yl]oxypiperidine-1-carboxylate?
The InChIKey is QLWUKXNEDRWSKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31F3N6O4/c1-23(2,3)37-22(34)33-6-4-5-15(14-33)36-20-12-18(30-21(31-20)32-7-9-35-10-8-32)16-13-29-19(28)11-17(16)24(25,26)27/h11-13,15H,4-10,14H2,1-3H3,(H2,28,29).
What are the key properties of tert-butyl 3-[6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-2-morpholin-4-ylpyrimidin-4-yl]oxypiperidine-1-carboxylate?
tert-butyl 3-[6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-2-morpholin-4-ylpyrimidin-4-yl]oxypiperidine-1-carboxylate has a molecular weight of 524.54 g/mol, XLogP of 3.75, 4 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-[6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-2-morpholin-4-ylpyrimidin-4-yl]oxypiperidine-1-carboxylate is sourced from PubChem (CID 59507569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).