8-(5-methylpyrazine-2-carbonyl)-N-[4-(trifluoromethoxy)phenyl]-2,8-diazaspiro[4.5]decane-2-carboxamide

C22H24F3N5O3 — CID 71566537

IUPAC8-(5-methylpyrazine-2-carbonyl)-N-[4-(trifluoromethoxy)phenyl]-2,8-diazaspiro[4.5]decane-2-carboxamide
SMILESCc1cnc(C(=O)N2CCC3(CCN(C(=O)Nc4ccc(OC(F)(F)F)cc4)C3)CC2)cn1
InChIInChI=1S/C22H24F3N5O3/c1-15-12-27-18(13-26-15)19(31)29-9-6-21(7-10-29)8-11-30(14-21)20(32)28-16-2-4-17(5-3-16)33-22(23,24)25/h2-5,12-13H,6-11,14H2,1H3,(H,28,32)
InChIKeyRSLYDLGWAOOXOL-UHFFFAOYSA-N
MW463.46 g/mol
LogP3.84
Rot. Bonds3

About 8-(5-methylpyrazine-2-carbonyl)-N-[4-(trifluoromethoxy)phenyl]-2,8-diazaspiro[4.5]decane-2-carboxamide

8-(5-methylpyrazine-2-carbonyl)-N-[4-(trifluoromethoxy)phenyl]-2,8-diazaspiro[4.5]decane-2-carboxamide (PubChem CID 71566537) has the molecular formula C22H24F3N5O3 and a molecular weight of 463.46 g/mol. Its IUPAC name is 8-(5-methylpyrazine-2-carbonyl)-N-[4-(trifluoromethoxy)phenyl]-2,8-diazaspiro[4.5]decane-2-carboxamide.

Molecular Properties

Compound Name8-(5-methylpyrazine-2-carbonyl)-N-[4-(trifluoromethoxy)phenyl]-2,8-diazaspiro[4.5]decane-2-carboxamide
PubChem CID71566537
Molecular FormulaC22H24F3N5O3
Molecular Weight463.46 g/mol
Exact Mass463.18
IUPAC Name8-(5-methylpyrazine-2-carbonyl)-N-[4-(trifluoromethoxy)phenyl]-2,8-diazaspiro[4.5]decane-2-carboxamide
SMILESCc1cnc(C(=O)N2CCC3(CCN(C(=O)Nc4ccc(OC(F)(F)F)cc4)C3)CC2)cn1
InChIInChI=1S/C22H24F3N5O3/c1-15-12-27-18(13-26-15)19(31)29-9-6-21(7-10-29)8-11-30(14-21)20(32)28-16-2-4-17(5-3-16)33-22(23,24)25/h2-5,12-13H,6-11,14H2,1H3,(H,28,32)
InChIKeyRSLYDLGWAOOXOL-UHFFFAOYSA-N
XLogP3.84
TPSA87.66 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.46
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 8-(5-methylpyrazine-2-carbonyl)-N-[4-(trifluoromethoxy)phenyl]-2,8-diazaspiro[4.5]decane-2-carboxamide?
The IUPAC name of 8-(5-methylpyrazine-2-carbonyl)-N-[4-(trifluoromethoxy)phenyl]-2,8-diazaspiro[4.5]decane-2-carboxamide (CID 71566537) is 8-(5-methylpyrazine-2-carbonyl)-N-[4-(trifluoromethoxy)phenyl]-2,8-diazaspiro[4.5]decane-2-carboxamide.
What is the SMILES notation for 8-(5-methylpyrazine-2-carbonyl)-N-[4-(trifluoromethoxy)phenyl]-2,8-diazaspiro[4.5]decane-2-carboxamide?
The canonical SMILES for 8-(5-methylpyrazine-2-carbonyl)-N-[4-(trifluoromethoxy)phenyl]-2,8-diazaspiro[4.5]decane-2-carboxamide is Cc1cnc(C(=O)N2CCC3(CCN(C(=O)Nc4ccc(OC(F)(F)F)cc4)C3)CC2)cn1.
What is the InChIKey of 8-(5-methylpyrazine-2-carbonyl)-N-[4-(trifluoromethoxy)phenyl]-2,8-diazaspiro[4.5]decane-2-carboxamide?
The InChIKey is RSLYDLGWAOOXOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24F3N5O3/c1-15-12-27-18(13-26-15)19(31)29-9-6-21(7-10-29)8-11-30(14-21)20(32)28-16-2-4-17(5-3-16)33-22(23,24)25/h2-5,12-13H,6-11,14H2,1H3,(H,28,32).
What are the key properties of 8-(5-methylpyrazine-2-carbonyl)-N-[4-(trifluoromethoxy)phenyl]-2,8-diazaspiro[4.5]decane-2-carboxamide?
8-(5-methylpyrazine-2-carbonyl)-N-[4-(trifluoromethoxy)phenyl]-2,8-diazaspiro[4.5]decane-2-carboxamide has a molecular weight of 463.46 g/mol, XLogP of 3.84, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(5-methylpyrazine-2-carbonyl)-N-[4-(trifluoromethoxy)phenyl]-2,8-diazaspiro[4.5]decane-2-carboxamide is sourced from PubChem (CID 71566537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).