tert-butyl 4-[6-oxo-5-[[3-(trifluoromethyl)-2-pyridinyl]methyl]pyrido[2,3-b]pyrazin-7-yl]piperidine-1-carboxylate

C24H26F3N5O3 — CID 174281195

IUPACtert-butyl 4-[6-oxo-5-[[3-(trifluoromethyl)-2-pyridinyl]methyl]pyrido[2,3-b]pyrazin-7-yl]piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(c2cc3nccnc3n(Cc3ncccc3C(F)(F)F)c2=O)CC1
InChIInChI=1S/C24H26F3N5O3/c1-23(2,3)35-22(34)31-11-6-15(7-12-31)16-13-18-20(30-10-9-29-18)32(21(16)33)14-19-17(24(25,26)27)5-4-8-28-19/h4-5,8-10,13,15H,6-7,11-12,14H2,1-3H3
InChIKeyAJFADBUBEQQKRQ-UHFFFAOYSA-N
MW489.50 g/mol
LogP4.37
Rot. Bonds3

About tert-butyl 4-[6-oxo-5-[[3-(trifluoromethyl)-2-pyridinyl]methyl]pyrido[2,3-b]pyrazin-7-yl]piperidine-1-carboxylate

tert-butyl 4-[6-oxo-5-[[3-(trifluoromethyl)-2-pyridinyl]methyl]pyrido[2,3-b]pyrazin-7-yl]piperidine-1-carboxylate (PubChem CID 174281195) has the molecular formula C24H26F3N5O3 and a molecular weight of 489.50 g/mol. Its IUPAC name is tert-butyl 4-[6-oxo-5-[[3-(trifluoromethyl)-2-pyridinyl]methyl]pyrido[2,3-b]pyrazin-7-yl]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[6-oxo-5-[[3-(trifluoromethyl)-2-pyridinyl]methyl]pyrido[2,3-b]pyrazin-7-yl]piperidine-1-carboxylate
PubChem CID174281195
Molecular FormulaC24H26F3N5O3
Molecular Weight489.50 g/mol
Exact Mass489.20
IUPAC Nametert-butyl 4-[6-oxo-5-[[3-(trifluoromethyl)-2-pyridinyl]methyl]pyrido[2,3-b]pyrazin-7-yl]piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(c2cc3nccnc3n(Cc3ncccc3C(F)(F)F)c2=O)CC1
InChIInChI=1S/C24H26F3N5O3/c1-23(2,3)35-22(34)31-11-6-15(7-12-31)16-13-18-20(30-10-9-29-18)32(21(16)33)14-19-17(24(25,26)27)5-4-8-28-19/h4-5,8-10,13,15H,6-7,11-12,14H2,1-3H3
InChIKeyAJFADBUBEQQKRQ-UHFFFAOYSA-N
XLogP4.37
TPSA90.21 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500489.50
LogP ≤ 54.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze tert-butyl 4-[6-oxo-5-[[3-(trifluoromethyl)-2-pyridinyl]methyl]pyrido[2,3-b]pyrazin-7-yl]piperidine-1-carboxylate with MolForge

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Related Compounds

5-[[3-(trifluoromethyl)-2-pyridinyl]methyl]-7-[1-[4-(trifluoromethyl)-3-pyridinyl]piperidin-4-yl]pyrido[2,3-b]pyrazin-6-one
CID 174277659
7-[1-(2-fluoro-3-methyl-4-pyridinyl)piperidin-4-yl]-5-[[2-(trifluoromethyl)phenyl]methyl]pyrido[2,3-b]pyrazin-6-one
CID 174277372
7-[4-(2-methoxy-4-methyl-3-pyridinyl)cyclohexyl]-3-methyl-5-[[3-(trifluoromethyl)-2-pyridinyl]methyl]pyrido[2,3-b]pyrazin-6-one
CID 174279401
7-cyclohexyl-3-(2,2-difluoroethyl)-5-[[3-(trifluoromethyl)-2-pyridinyl]methyl]pyrido[2,3-b]pyrazin-6-one;1-fluoro-3-methylbenzene
CID 176552817
3-(1,1-difluoroethyl)-7-[4-(2-fluoro-6-methylphenyl)cyclohexyl]-5-[[3-(trifluoromethyl)-2-pyridinyl]methyl]pyrido[2,3-b]pyrazin-6-one
CID 174279647
tert-butyl 4-[4-fluoro-2-(trifluoromethyl)phenyl]piperidine-1-carboxylate
CID 118483512
tert-butyl 4-[4-amino-2-(trifluoromethyl)phenyl]piperidine-1-carboxylate
CID 90028532
7-cyclohexyl-3-methyl-5-[[3-(trifluoromethyl)-2-pyridinyl]methyl]pyrido[2,3-b]pyrazin-6-one;1,5-dimethylindazole
CID 176552597
tert-butyl 4-(8-aminoquinolin-5-yl)piperidine-1-carboxylate
CID 178017330
tert-butyl 4-pyridin-2-ylpiperidine-1-carboxylate
CID 11108143
tert-butyl 4-(quinolin-6-ylmethyl)piperidine-1-carboxylate
CID 174880299
tert-butyl 4-[(2-ethyl-3-pyridinyl)amino]piperidine-1-carboxylate
CID 138472256

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[6-oxo-5-[[3-(trifluoromethyl)-2-pyridinyl]methyl]pyrido[2,3-b]pyrazin-7-yl]piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-[6-oxo-5-[[3-(trifluoromethyl)-2-pyridinyl]methyl]pyrido[2,3-b]pyrazin-7-yl]piperidine-1-carboxylate (CID 174281195) is tert-butyl 4-[6-oxo-5-[[3-(trifluoromethyl)-2-pyridinyl]methyl]pyrido[2,3-b]pyrazin-7-yl]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[6-oxo-5-[[3-(trifluoromethyl)-2-pyridinyl]methyl]pyrido[2,3-b]pyrazin-7-yl]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[6-oxo-5-[[3-(trifluoromethyl)-2-pyridinyl]methyl]pyrido[2,3-b]pyrazin-7-yl]piperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCC(c2cc3nccnc3n(Cc3ncccc3C(F)(F)F)c2=O)CC1.
What is the InChIKey of tert-butyl 4-[6-oxo-5-[[3-(trifluoromethyl)-2-pyridinyl]methyl]pyrido[2,3-b]pyrazin-7-yl]piperidine-1-carboxylate?
The InChIKey is AJFADBUBEQQKRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26F3N5O3/c1-23(2,3)35-22(34)31-11-6-15(7-12-31)16-13-18-20(30-10-9-29-18)32(21(16)33)14-19-17(24(25,26)27)5-4-8-28-19/h4-5,8-10,13,15H,6-7,11-12,14H2,1-3H3.
What are the key properties of tert-butyl 4-[6-oxo-5-[[3-(trifluoromethyl)-2-pyridinyl]methyl]pyrido[2,3-b]pyrazin-7-yl]piperidine-1-carboxylate?
tert-butyl 4-[6-oxo-5-[[3-(trifluoromethyl)-2-pyridinyl]methyl]pyrido[2,3-b]pyrazin-7-yl]piperidine-1-carboxylate has a molecular weight of 489.50 g/mol, XLogP of 4.37, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[6-oxo-5-[[3-(trifluoromethyl)-2-pyridinyl]methyl]pyrido[2,3-b]pyrazin-7-yl]piperidine-1-carboxylate is sourced from PubChem (CID 174281195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).