5'-methyl-2'-phenyl-3-pyridin-2-yl-8-(trifluoromethyl)spiro[2,4,4a,6-tetrahydro-1H-pyrazino[1,2-a]quinoline-5,4'-pyrazole]-3'-one

C27H24F3N5O — CID 17037092

IUPAC5'-methyl-2'-phenyl-3-pyridin-2-yl-8-(trifluoromethyl)spiro[2,4,4a,6-tetrahydro-1H-pyrazino[1,2-a]quinoline-5,4'-pyrazole]-3'-one
SMILESCC1=NN(c2ccccc2)C(=O)C12Cc1cc(C(F)(F)F)ccc1N1CCN(c3ccccn3)CC12
InChIInChI=1S/C27H24F3N5O/c1-18-26(25(36)35(32-18)21-7-3-2-4-8-21)16-19-15-20(27(28,29)30)10-11-22(19)34-14-13-33(17-23(26)34)24-9-5-6-12-31-24/h2-12,15,23H,13-14,16-17H2,1H3
InChIKeyARWGEKUQFRNFNU-UHFFFAOYSA-N
MW491.52 g/mol
LogP4.76
Rot. Bonds2

About 5'-methyl-2'-phenyl-3-pyridin-2-yl-8-(trifluoromethyl)spiro[2,4,4a,6-tetrahydro-1H-pyrazino[1,2-a]quinoline-5,4'-pyrazole]-3'-one

5'-methyl-2'-phenyl-3-pyridin-2-yl-8-(trifluoromethyl)spiro[2,4,4a,6-tetrahydro-1H-pyrazino[1,2-a]quinoline-5,4'-pyrazole]-3'-one (PubChem CID 17037092) has the molecular formula C27H24F3N5O and a molecular weight of 491.52 g/mol. Its IUPAC name is 5'-methyl-2'-phenyl-3-pyridin-2-yl-8-(trifluoromethyl)spiro[2,4,4a,6-tetrahydro-1H-pyrazino[1,2-a]quinoline-5,4'-pyrazole]-3'-one.

Molecular Properties

Compound Name5'-methyl-2'-phenyl-3-pyridin-2-yl-8-(trifluoromethyl)spiro[2,4,4a,6-tetrahydro-1H-pyrazino[1,2-a]quinoline-5,4'-pyrazole]-3'-one
PubChem CID17037092
Molecular FormulaC27H24F3N5O
Molecular Weight491.52 g/mol
Exact Mass491.19
IUPAC Name5'-methyl-2'-phenyl-3-pyridin-2-yl-8-(trifluoromethyl)spiro[2,4,4a,6-tetrahydro-1H-pyrazino[1,2-a]quinoline-5,4'-pyrazole]-3'-one
SMILESCC1=NN(c2ccccc2)C(=O)C12Cc1cc(C(F)(F)F)ccc1N1CCN(c3ccccn3)CC12
InChIInChI=1S/C27H24F3N5O/c1-18-26(25(36)35(32-18)21-7-3-2-4-8-21)16-19-15-20(27(28,29)30)10-11-22(19)34-14-13-33(17-23(26)34)24-9-5-6-12-31-24/h2-12,15,23H,13-14,16-17H2,1H3
InChIKeyARWGEKUQFRNFNU-UHFFFAOYSA-N
XLogP4.76
TPSA52.04 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500491.52
LogP ≤ 54.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5'-methyl-2'-phenyl-3-pyridin-2-yl-8-(trifluoromethyl)spiro[2,4,4a,6-tetrahydro-1H-pyrazino[1,2-a]quinoline-5,4'-pyrazole]-3'-one?
The IUPAC name of 5'-methyl-2'-phenyl-3-pyridin-2-yl-8-(trifluoromethyl)spiro[2,4,4a,6-tetrahydro-1H-pyrazino[1,2-a]quinoline-5,4'-pyrazole]-3'-one (CID 17037092) is 5'-methyl-2'-phenyl-3-pyridin-2-yl-8-(trifluoromethyl)spiro[2,4,4a,6-tetrahydro-1H-pyrazino[1,2-a]quinoline-5,4'-pyrazole]-3'-one.
What is the SMILES notation for 5'-methyl-2'-phenyl-3-pyridin-2-yl-8-(trifluoromethyl)spiro[2,4,4a,6-tetrahydro-1H-pyrazino[1,2-a]quinoline-5,4'-pyrazole]-3'-one?
The canonical SMILES for 5'-methyl-2'-phenyl-3-pyridin-2-yl-8-(trifluoromethyl)spiro[2,4,4a,6-tetrahydro-1H-pyrazino[1,2-a]quinoline-5,4'-pyrazole]-3'-one is CC1=NN(c2ccccc2)C(=O)C12Cc1cc(C(F)(F)F)ccc1N1CCN(c3ccccn3)CC12.
What is the InChIKey of 5'-methyl-2'-phenyl-3-pyridin-2-yl-8-(trifluoromethyl)spiro[2,4,4a,6-tetrahydro-1H-pyrazino[1,2-a]quinoline-5,4'-pyrazole]-3'-one?
The InChIKey is ARWGEKUQFRNFNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H24F3N5O/c1-18-26(25(36)35(32-18)21-7-3-2-4-8-21)16-19-15-20(27(28,29)30)10-11-22(19)34-14-13-33(17-23(26)34)24-9-5-6-12-31-24/h2-12,15,23H,13-14,16-17H2,1H3.
What are the key properties of 5'-methyl-2'-phenyl-3-pyridin-2-yl-8-(trifluoromethyl)spiro[2,4,4a,6-tetrahydro-1H-pyrazino[1,2-a]quinoline-5,4'-pyrazole]-3'-one?
5'-methyl-2'-phenyl-3-pyridin-2-yl-8-(trifluoromethyl)spiro[2,4,4a,6-tetrahydro-1H-pyrazino[1,2-a]quinoline-5,4'-pyrazole]-3'-one has a molecular weight of 491.52 g/mol, XLogP of 4.76, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5'-methyl-2'-phenyl-3-pyridin-2-yl-8-(trifluoromethyl)spiro[2,4,4a,6-tetrahydro-1H-pyrazino[1,2-a]quinoline-5,4'-pyrazole]-3'-one is sourced from PubChem (CID 17037092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).