9-(5-methylpyrazine-2-carbonyl)-N-[4-(trifluoromethoxy)phenyl]-1-oxa-4,9-diazaspiro[5.5]undecane-4-carboxamide

C22H24F3N5O4 — CID 73212940

IUPAC9-(5-methylpyrazine-2-carbonyl)-N-[4-(trifluoromethoxy)phenyl]-1-oxa-4,9-diazaspiro[5.5]undecane-4-carboxamide
SMILESCc1cnc(C(=O)N2CCC3(CC2)CN(C(=O)Nc2ccc(OC(F)(F)F)cc2)CCO3)cn1
InChIInChI=1S/C22H24F3N5O4/c1-15-12-27-18(13-26-15)19(31)29-8-6-21(7-9-29)14-30(10-11-33-21)20(32)28-16-2-4-17(5-3-16)34-22(23,24)25/h2-5,12-13H,6-11,14H2,1H3,(H,28,32)
InChIKeyPQYMJXVHZPEJPU-UHFFFAOYSA-N
MW479.46 g/mol
LogP3.22
Rot. Bonds3

About 9-(5-methylpyrazine-2-carbonyl)-N-[4-(trifluoromethoxy)phenyl]-1-oxa-4,9-diazaspiro[5.5]undecane-4-carboxamide

9-(5-methylpyrazine-2-carbonyl)-N-[4-(trifluoromethoxy)phenyl]-1-oxa-4,9-diazaspiro[5.5]undecane-4-carboxamide (PubChem CID 73212940) has the molecular formula C22H24F3N5O4 and a molecular weight of 479.46 g/mol. Its IUPAC name is 9-(5-methylpyrazine-2-carbonyl)-N-[4-(trifluoromethoxy)phenyl]-1-oxa-4,9-diazaspiro[5.5]undecane-4-carboxamide.

Molecular Properties

Compound Name9-(5-methylpyrazine-2-carbonyl)-N-[4-(trifluoromethoxy)phenyl]-1-oxa-4,9-diazaspiro[5.5]undecane-4-carboxamide
PubChem CID73212940
Molecular FormulaC22H24F3N5O4
Molecular Weight479.46 g/mol
Exact Mass479.18
IUPAC Name9-(5-methylpyrazine-2-carbonyl)-N-[4-(trifluoromethoxy)phenyl]-1-oxa-4,9-diazaspiro[5.5]undecane-4-carboxamide
SMILESCc1cnc(C(=O)N2CCC3(CC2)CN(C(=O)Nc2ccc(OC(F)(F)F)cc2)CCO3)cn1
InChIInChI=1S/C22H24F3N5O4/c1-15-12-27-18(13-26-15)19(31)29-8-6-21(7-9-29)14-30(10-11-33-21)20(32)28-16-2-4-17(5-3-16)34-22(23,24)25/h2-5,12-13H,6-11,14H2,1H3,(H,28,32)
InChIKeyPQYMJXVHZPEJPU-UHFFFAOYSA-N
XLogP3.22
TPSA96.89 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.46
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

8-(5-methylpyrazine-2-carbonyl)-N-[4-(trifluoromethoxy)phenyl]-2,8-diazaspiro[4.5]decane-2-carboxamide
CID 71566537
9-(4-chloropyridine-2-carbonyl)-N-[4-(trifluoromethoxy)phenyl]-1-oxa-4,9-diazaspiro[5.5]undecane-4-carboxamide
CID 71679346
9-(2-pyridin-2-ylacetyl)-N-[4-(trifluoromethoxy)phenyl]-1-oxa-4,9-diazaspiro[5.5]undecane-4-carboxamide
CID 73213027
5-Methyl-pyrazine-2-carboxylic acid (4-trifluoromethoxy-phenyl)-amide
CID 1448495
3-amino-N-[3-[4-amino-4-(ethoxymethyl)piperidin-1-yl]pyridin-2-yl]-6-[3-(trifluoromethoxy)pyridin-2-yl]pyrazine-2-carboxamide
CID 118873270
N-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]pyrazine-2-carboxamide
CID 168291911
N-[4-[1-(5-methylpyrazine-2-carbonyl)azetidin-3-yl]oxyphenyl]-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxamide
CID 57510975
N-[4-[1-(pyrazine-2-carbonyl)piperidin-4-yl]oxyphenyl]-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxamide
CID 57511014
N-[4-[1-(5-methylpyrazine-2-carbonyl)piperidin-4-yl]oxyphenyl]-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxamide
CID 57511016
6-morpholin-4-yl-5-pyrazin-2-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide
CID 118198942
N-[4-(azetidin-3-yloxy)phenyl]-5-(trifluoromethyl)pyrazine-2-carboxamide
CID 118903364
N-[4-[4-(2,4-difluorophenoxy)piperidin-1-yl]-6-methyl-3-pyridinyl]-5-methoxypyrazine-2-carboxamide
CID 151188052

Frequently Asked Questions

What is the IUPAC name of 9-(5-methylpyrazine-2-carbonyl)-N-[4-(trifluoromethoxy)phenyl]-1-oxa-4,9-diazaspiro[5.5]undecane-4-carboxamide?
The IUPAC name of 9-(5-methylpyrazine-2-carbonyl)-N-[4-(trifluoromethoxy)phenyl]-1-oxa-4,9-diazaspiro[5.5]undecane-4-carboxamide (CID 73212940) is 9-(5-methylpyrazine-2-carbonyl)-N-[4-(trifluoromethoxy)phenyl]-1-oxa-4,9-diazaspiro[5.5]undecane-4-carboxamide.
What is the SMILES notation for 9-(5-methylpyrazine-2-carbonyl)-N-[4-(trifluoromethoxy)phenyl]-1-oxa-4,9-diazaspiro[5.5]undecane-4-carboxamide?
The canonical SMILES for 9-(5-methylpyrazine-2-carbonyl)-N-[4-(trifluoromethoxy)phenyl]-1-oxa-4,9-diazaspiro[5.5]undecane-4-carboxamide is Cc1cnc(C(=O)N2CCC3(CC2)CN(C(=O)Nc2ccc(OC(F)(F)F)cc2)CCO3)cn1.
What is the InChIKey of 9-(5-methylpyrazine-2-carbonyl)-N-[4-(trifluoromethoxy)phenyl]-1-oxa-4,9-diazaspiro[5.5]undecane-4-carboxamide?
The InChIKey is PQYMJXVHZPEJPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24F3N5O4/c1-15-12-27-18(13-26-15)19(31)29-8-6-21(7-9-29)14-30(10-11-33-21)20(32)28-16-2-4-17(5-3-16)34-22(23,24)25/h2-5,12-13H,6-11,14H2,1H3,(H,28,32).
What are the key properties of 9-(5-methylpyrazine-2-carbonyl)-N-[4-(trifluoromethoxy)phenyl]-1-oxa-4,9-diazaspiro[5.5]undecane-4-carboxamide?
9-(5-methylpyrazine-2-carbonyl)-N-[4-(trifluoromethoxy)phenyl]-1-oxa-4,9-diazaspiro[5.5]undecane-4-carboxamide has a molecular weight of 479.46 g/mol, XLogP of 3.22, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(5-methylpyrazine-2-carbonyl)-N-[4-(trifluoromethoxy)phenyl]-1-oxa-4,9-diazaspiro[5.5]undecane-4-carboxamide is sourced from PubChem (CID 73212940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).