7-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]-2,7-diazaspiro[4.4]nonan-1-one

C18H17F2N7O — CID 139357727

IUPAC7-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]-2,7-diazaspiro[4.4]nonan-1-one
SMILESO=C1NCCC12CCN(c1ccnc(-c3cnc4cnc(C(F)F)cn34)n1)C2
InChIInChI=1S/C18H17F2N7O/c19-15(20)11-9-27-12(7-24-14(27)8-23-11)16-21-4-1-13(25-16)26-6-3-18(10-26)2-5-22-17(18)28/h1,4,7-9,15H,2-3,5-6,10H2,(H,22,28)
InChIKeyYOXMTVOFLGAHJX-UHFFFAOYSA-N
MW385.38 g/mol
LogP1.84
Rot. Bonds3

About 7-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]-2,7-diazaspiro[4.4]nonan-1-one

7-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]-2,7-diazaspiro[4.4]nonan-1-one (PubChem CID 139357727) has the molecular formula C18H17F2N7O and a molecular weight of 385.38 g/mol. Its IUPAC name is 7-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]-2,7-diazaspiro[4.4]nonan-1-one.

Molecular Properties

Compound Name7-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]-2,7-diazaspiro[4.4]nonan-1-one
PubChem CID139357727
Molecular FormulaC18H17F2N7O
Molecular Weight385.38 g/mol
Exact Mass385.15
IUPAC Name7-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]-2,7-diazaspiro[4.4]nonan-1-one
SMILESO=C1NCCC12CCN(c1ccnc(-c3cnc4cnc(C(F)F)cn34)n1)C2
InChIInChI=1S/C18H17F2N7O/c19-15(20)11-9-27-12(7-24-14(27)8-23-11)16-21-4-1-13(25-16)26-6-3-18(10-26)2-5-22-17(18)28/h1,4,7-9,15H,2-3,5-6,10H2,(H,22,28)
InChIKeyYOXMTVOFLGAHJX-UHFFFAOYSA-N
XLogP1.84
TPSA88.31 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.38
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 7-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]-2,7-diazaspiro[4.4]nonan-1-one?
The IUPAC name of 7-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]-2,7-diazaspiro[4.4]nonan-1-one (CID 139357727) is 7-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]-2,7-diazaspiro[4.4]nonan-1-one.
What is the SMILES notation for 7-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]-2,7-diazaspiro[4.4]nonan-1-one?
The canonical SMILES for 7-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]-2,7-diazaspiro[4.4]nonan-1-one is O=C1NCCC12CCN(c1ccnc(-c3cnc4cnc(C(F)F)cn34)n1)C2.
What is the InChIKey of 7-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]-2,7-diazaspiro[4.4]nonan-1-one?
The InChIKey is YOXMTVOFLGAHJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17F2N7O/c19-15(20)11-9-27-12(7-24-14(27)8-23-11)16-21-4-1-13(25-16)26-6-3-18(10-26)2-5-22-17(18)28/h1,4,7-9,15H,2-3,5-6,10H2,(H,22,28).
What are the key properties of 7-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]-2,7-diazaspiro[4.4]nonan-1-one?
7-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]-2,7-diazaspiro[4.4]nonan-1-one has a molecular weight of 385.38 g/mol, XLogP of 1.84, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]-2,7-diazaspiro[4.4]nonan-1-one is sourced from PubChem (CID 139357727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).