2'-methyl-7'-[2-[(5-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)amino]-5-(trifluoromethyl)pyrimidin-4-yl]oxyspiro[cyclopropane-1,3'-isoindole]-1'-one

C23H22F3N7O2 — CID 176733278

IUPAC2'-methyl-7'-[2-[(5-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)amino]-5-(trifluoromethyl)pyrimidin-4-yl]oxyspiro[cyclopropane-1,3'-isoindole]-1'-one
SMILESCN1CCn2nc(Nc3ncc(C(F)(F)F)c(Oc4cccc5c4C(=O)N(C)C54CC4)n3)cc2C1
InChIInChI=1S/C23H22F3N7O2/c1-31-8-9-33-13(12-31)10-17(30-33)28-21-27-11-15(23(24,25)26)19(29-21)35-16-5-3-4-14-18(16)20(34)32(2)22(14)6-7-22/h3-5,10-11H,6-9,12H2,1-2H3,(H,27,28,29,30)
InChIKeyFQSBRFOEFZOITE-UHFFFAOYSA-N
MW485.47 g/mol
LogP3.75
Rot. Bonds4

About 2'-methyl-7'-[2-[(5-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)amino]-5-(trifluoromethyl)pyrimidin-4-yl]oxyspiro[cyclopropane-1,3'-isoindole]-1'-one

2'-methyl-7'-[2-[(5-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)amino]-5-(trifluoromethyl)pyrimidin-4-yl]oxyspiro[cyclopropane-1,3'-isoindole]-1'-one (PubChem CID 176733278) has the molecular formula C23H22F3N7O2 and a molecular weight of 485.47 g/mol. Its IUPAC name is 2'-methyl-7'-[2-[(5-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)amino]-5-(trifluoromethyl)pyrimidin-4-yl]oxyspiro[cyclopropane-1,3'-isoindole]-1'-one.

Molecular Properties

Compound Name2'-methyl-7'-[2-[(5-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)amino]-5-(trifluoromethyl)pyrimidin-4-yl]oxyspiro[cyclopropane-1,3'-isoindole]-1'-one
PubChem CID176733278
Molecular FormulaC23H22F3N7O2
Molecular Weight485.47 g/mol
Exact Mass485.18
IUPAC Name2'-methyl-7'-[2-[(5-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)amino]-5-(trifluoromethyl)pyrimidin-4-yl]oxyspiro[cyclopropane-1,3'-isoindole]-1'-one
SMILESCN1CCn2nc(Nc3ncc(C(F)(F)F)c(Oc4cccc5c4C(=O)N(C)C54CC4)n3)cc2C1
InChIInChI=1S/C23H22F3N7O2/c1-31-8-9-33-13(12-31)10-17(30-33)28-21-27-11-15(23(24,25)26)19(29-21)35-16-5-3-4-14-18(16)20(34)32(2)22(14)6-7-22/h3-5,10-11H,6-9,12H2,1-2H3,(H,27,28,29,30)
InChIKeyFQSBRFOEFZOITE-UHFFFAOYSA-N
XLogP3.75
TPSA88.41 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.47
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 2'-methyl-7'-[2-[(5-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)amino]-5-(trifluoromethyl)pyrimidin-4-yl]oxyspiro[cyclopropane-1,3'-isoindole]-1'-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2'-methyl-7'-[2-[(5-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)amino]-5-(trifluoromethyl)pyrimidin-4-yl]oxyspiro[cyclopropane-1,3'-isoindole]-1'-one?
The IUPAC name of 2'-methyl-7'-[2-[(5-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)amino]-5-(trifluoromethyl)pyrimidin-4-yl]oxyspiro[cyclopropane-1,3'-isoindole]-1'-one (CID 176733278) is 2'-methyl-7'-[2-[(5-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)amino]-5-(trifluoromethyl)pyrimidin-4-yl]oxyspiro[cyclopropane-1,3'-isoindole]-1'-one.
What is the SMILES notation for 2'-methyl-7'-[2-[(5-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)amino]-5-(trifluoromethyl)pyrimidin-4-yl]oxyspiro[cyclopropane-1,3'-isoindole]-1'-one?
The canonical SMILES for 2'-methyl-7'-[2-[(5-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)amino]-5-(trifluoromethyl)pyrimidin-4-yl]oxyspiro[cyclopropane-1,3'-isoindole]-1'-one is CN1CCn2nc(Nc3ncc(C(F)(F)F)c(Oc4cccc5c4C(=O)N(C)C54CC4)n3)cc2C1.
What is the InChIKey of 2'-methyl-7'-[2-[(5-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)amino]-5-(trifluoromethyl)pyrimidin-4-yl]oxyspiro[cyclopropane-1,3'-isoindole]-1'-one?
The InChIKey is FQSBRFOEFZOITE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22F3N7O2/c1-31-8-9-33-13(12-31)10-17(30-33)28-21-27-11-15(23(24,25)26)19(29-21)35-16-5-3-4-14-18(16)20(34)32(2)22(14)6-7-22/h3-5,10-11H,6-9,12H2,1-2H3,(H,27,28,29,30).
What are the key properties of 2'-methyl-7'-[2-[(5-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)amino]-5-(trifluoromethyl)pyrimidin-4-yl]oxyspiro[cyclopropane-1,3'-isoindole]-1'-one?
2'-methyl-7'-[2-[(5-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)amino]-5-(trifluoromethyl)pyrimidin-4-yl]oxyspiro[cyclopropane-1,3'-isoindole]-1'-one has a molecular weight of 485.47 g/mol, XLogP of 3.75, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2'-methyl-7'-[2-[(5-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)amino]-5-(trifluoromethyl)pyrimidin-4-yl]oxyspiro[cyclopropane-1,3'-isoindole]-1'-one is sourced from PubChem (CID 176733278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).