tert-butyl N-[1-[5-(8-methoxy-2-methylimidazo[1,2-a]pyrazin-6-yl)-3-(trifluoromethyl)-2-pyridinyl]-4-methylpiperidin-4-yl]carbamate

C25H31F3N6O3 — CID 176905976

IUPACtert-butyl N-[1-[5-(8-methoxy-2-methylimidazo[1,2-a]pyrazin-6-yl)-3-(trifluoromethyl)-2-pyridinyl]-4-methylpiperidin-4-yl]carbamate
SMILESCOc1nc(-c2cnc(N3CCC(C)(NC(=O)OC(C)(C)C)CC3)c(C(F)(F)F)c2)cn2cc(C)nc12
InChIInChI=1S/C25H31F3N6O3/c1-15-13-34-14-18(31-21(36-6)20(34)30-15)16-11-17(25(26,27)28)19(29-12-16)33-9-7-24(5,8-10-33)32-22(35)37-23(2,3)4/h11-14H,7-10H2,1-6H3,(H,32,35)
InChIKeyWFENICXFRMXFEN-UHFFFAOYSA-N
MW520.56 g/mol
LogP5.01
Rot. Bonds4

About tert-butyl N-[1-[5-(8-methoxy-2-methylimidazo[1,2-a]pyrazin-6-yl)-3-(trifluoromethyl)-2-pyridinyl]-4-methylpiperidin-4-yl]carbamate

tert-butyl N-[1-[5-(8-methoxy-2-methylimidazo[1,2-a]pyrazin-6-yl)-3-(trifluoromethyl)-2-pyridinyl]-4-methylpiperidin-4-yl]carbamate (PubChem CID 176905976) has the molecular formula C25H31F3N6O3 and a molecular weight of 520.56 g/mol. Its IUPAC name is tert-butyl N-[1-[5-(8-methoxy-2-methylimidazo[1,2-a]pyrazin-6-yl)-3-(trifluoromethyl)-2-pyridinyl]-4-methylpiperidin-4-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[1-[5-(8-methoxy-2-methylimidazo[1,2-a]pyrazin-6-yl)-3-(trifluoromethyl)-2-pyridinyl]-4-methylpiperidin-4-yl]carbamate
PubChem CID176905976
Molecular FormulaC25H31F3N6O3
Molecular Weight520.56 g/mol
Exact Mass520.24
IUPAC Nametert-butyl N-[1-[5-(8-methoxy-2-methylimidazo[1,2-a]pyrazin-6-yl)-3-(trifluoromethyl)-2-pyridinyl]-4-methylpiperidin-4-yl]carbamate
SMILESCOc1nc(-c2cnc(N3CCC(C)(NC(=O)OC(C)(C)C)CC3)c(C(F)(F)F)c2)cn2cc(C)nc12
InChIInChI=1S/C25H31F3N6O3/c1-15-13-34-14-18(31-21(36-6)20(34)30-15)16-11-17(25(26,27)28)19(29-12-16)33-9-7-24(5,8-10-33)32-22(35)37-23(2,3)4/h11-14H,7-10H2,1-6H3,(H,32,35)
InChIKeyWFENICXFRMXFEN-UHFFFAOYSA-N
XLogP5.01
TPSA93.88 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500520.56
LogP ≤ 55.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

3-((R)-1-(cyanomethyl)piperidin-3-yl)-1-ethyl-1-((R)-1-(3-(8-methoxyimidazo[1,2-a]pyrazin-6-yl)phenyl)ethyl)urea
CID 164536547
3-[(1S)-1-(3,3-difluorocyclohexyl)-2,2,2-trifluoroethyl]-1-ethyl-1-[(1R)-1-[3-(8-methoxyimidazo[1,2-a]pyrazin-6-yl)phenyl]ethyl]urea
CID 164536581
3-[(1R)-1-(4,4-difluorooxan-2-yl)propyl]-1-ethyl-1-[(1R)-1-[3-(8-methoxyimidazo[1,2-a]pyrazin-6-yl)phenyl]ethyl]urea
CID 164536685
4-[2-Methyl-3-(6-piperazin-1-yl-3-pyridinyl)imidazo[1,2-a]pyrazin-8-yl]morpholine
CID 53380385
N-[6-[5-amino-6-(1,1,1-trifluoropropan-2-yloxy)pyrazin-2-yl]imidazo[1,2-a]pyridin-2-yl]acetamide
CID 56929824
N-[6-[5-amino-6-(2,2,2-trifluoroethoxy)pyrazin-2-yl]imidazo[1,2-a]pyridin-2-yl]acetamide
CID 59251818
N-[6-[5-amino-6-(2-methoxyethoxy)pyrazin-2-yl]imidazo[1,2-a]pyridin-2-yl]acetamide
CID 59251845
N-[6-(5-amino-6-propan-2-yloxypyrazin-2-yl)imidazo[1,2-a]pyridin-2-yl]acetamide
CID 59251951
N-[6-(5-amino-6-ethoxypyrazin-2-yl)imidazo[1,2-a]pyridin-2-yl]acetamide
CID 59251964
N-[6-(5-amino-6-methoxypyrazin-2-yl)imidazo[1,2-a]pyridin-2-yl]acetamide
CID 59251975
5-(2-methyl-8-morpholin-4-ylimidazo[1,2-a]pyrazin-3-yl)-N-propan-2-ylpyridin-2-amine
CID 67413560
[3-[(4-fluorophenyl)methyl]imidazo[4,5-b]pyridin-2-yl]methyl N-[(1S)-1-(4-fluorophenyl)ethyl]carbamate
CID 122445546

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[1-[5-(8-methoxy-2-methylimidazo[1,2-a]pyrazin-6-yl)-3-(trifluoromethyl)-2-pyridinyl]-4-methylpiperidin-4-yl]carbamate?
The IUPAC name of tert-butyl N-[1-[5-(8-methoxy-2-methylimidazo[1,2-a]pyrazin-6-yl)-3-(trifluoromethyl)-2-pyridinyl]-4-methylpiperidin-4-yl]carbamate (CID 176905976) is tert-butyl N-[1-[5-(8-methoxy-2-methylimidazo[1,2-a]pyrazin-6-yl)-3-(trifluoromethyl)-2-pyridinyl]-4-methylpiperidin-4-yl]carbamate.
What is the SMILES notation for tert-butyl N-[1-[5-(8-methoxy-2-methylimidazo[1,2-a]pyrazin-6-yl)-3-(trifluoromethyl)-2-pyridinyl]-4-methylpiperidin-4-yl]carbamate?
The canonical SMILES for tert-butyl N-[1-[5-(8-methoxy-2-methylimidazo[1,2-a]pyrazin-6-yl)-3-(trifluoromethyl)-2-pyridinyl]-4-methylpiperidin-4-yl]carbamate is COc1nc(-c2cnc(N3CCC(C)(NC(=O)OC(C)(C)C)CC3)c(C(F)(F)F)c2)cn2cc(C)nc12.
What is the InChIKey of tert-butyl N-[1-[5-(8-methoxy-2-methylimidazo[1,2-a]pyrazin-6-yl)-3-(trifluoromethyl)-2-pyridinyl]-4-methylpiperidin-4-yl]carbamate?
The InChIKey is WFENICXFRMXFEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31F3N6O3/c1-15-13-34-14-18(31-21(36-6)20(34)30-15)16-11-17(25(26,27)28)19(29-12-16)33-9-7-24(5,8-10-33)32-22(35)37-23(2,3)4/h11-14H,7-10H2,1-6H3,(H,32,35).
What are the key properties of tert-butyl N-[1-[5-(8-methoxy-2-methylimidazo[1,2-a]pyrazin-6-yl)-3-(trifluoromethyl)-2-pyridinyl]-4-methylpiperidin-4-yl]carbamate?
tert-butyl N-[1-[5-(8-methoxy-2-methylimidazo[1,2-a]pyrazin-6-yl)-3-(trifluoromethyl)-2-pyridinyl]-4-methylpiperidin-4-yl]carbamate has a molecular weight of 520.56 g/mol, XLogP of 5.01, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[1-[5-(8-methoxy-2-methylimidazo[1,2-a]pyrazin-6-yl)-3-(trifluoromethyl)-2-pyridinyl]-4-methylpiperidin-4-yl]carbamate is sourced from PubChem (CID 176905976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).