3-[4-(6-azaspiro[3.4]octan-6-yl)pyrimidin-2-yl]-6-(difluoromethyl)imidazo[1,2-a]pyrazine

C18H18F2N6 — CID 139357720

IUPAC3-[4-(6-azaspiro[3.4]octan-6-yl)pyrimidin-2-yl]-6-(difluoromethyl)imidazo[1,2-a]pyrazine
SMILESFC(F)c1cn2c(-c3nccc(N4CCC5(CCC5)C4)n3)cnc2cn1
InChIInChI=1S/C18H18F2N6/c19-16(20)12-10-26-13(8-23-15(26)9-22-12)17-21-6-2-14(24-17)25-7-5-18(11-25)3-1-4-18/h2,6,8-10,16H,1,3-5,7,11H2
InChIKeyZKVQWTWORIAPNN-UHFFFAOYSA-N
MW356.38 g/mol
LogP3.50
Rot. Bonds3

About 3-[4-(6-azaspiro[3.4]octan-6-yl)pyrimidin-2-yl]-6-(difluoromethyl)imidazo[1,2-a]pyrazine

3-[4-(6-azaspiro[3.4]octan-6-yl)pyrimidin-2-yl]-6-(difluoromethyl)imidazo[1,2-a]pyrazine (PubChem CID 139357720) has the molecular formula C18H18F2N6 and a molecular weight of 356.38 g/mol. Its IUPAC name is 3-[4-(6-azaspiro[3.4]octan-6-yl)pyrimidin-2-yl]-6-(difluoromethyl)imidazo[1,2-a]pyrazine.

Molecular Properties

Compound Name3-[4-(6-azaspiro[3.4]octan-6-yl)pyrimidin-2-yl]-6-(difluoromethyl)imidazo[1,2-a]pyrazine
PubChem CID139357720
Molecular FormulaC18H18F2N6
Molecular Weight356.38 g/mol
Exact Mass356.16
IUPAC Name3-[4-(6-azaspiro[3.4]octan-6-yl)pyrimidin-2-yl]-6-(difluoromethyl)imidazo[1,2-a]pyrazine
SMILESFC(F)c1cn2c(-c3nccc(N4CCC5(CCC5)C4)n3)cnc2cn1
InChIInChI=1S/C18H18F2N6/c19-16(20)12-10-26-13(8-23-15(26)9-22-12)17-21-6-2-14(24-17)25-7-5-18(11-25)3-1-4-18/h2,6,8-10,16H,1,3-5,7,11H2
InChIKeyZKVQWTWORIAPNN-UHFFFAOYSA-N
XLogP3.50
TPSA59.21 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.38
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[4-(6-azaspiro[3.4]octan-6-yl)pyrimidin-2-yl]-6-(difluoromethyl)imidazo[1,2-a]pyrazine?
The IUPAC name of 3-[4-(6-azaspiro[3.4]octan-6-yl)pyrimidin-2-yl]-6-(difluoromethyl)imidazo[1,2-a]pyrazine (CID 139357720) is 3-[4-(6-azaspiro[3.4]octan-6-yl)pyrimidin-2-yl]-6-(difluoromethyl)imidazo[1,2-a]pyrazine.
What is the SMILES notation for 3-[4-(6-azaspiro[3.4]octan-6-yl)pyrimidin-2-yl]-6-(difluoromethyl)imidazo[1,2-a]pyrazine?
The canonical SMILES for 3-[4-(6-azaspiro[3.4]octan-6-yl)pyrimidin-2-yl]-6-(difluoromethyl)imidazo[1,2-a]pyrazine is FC(F)c1cn2c(-c3nccc(N4CCC5(CCC5)C4)n3)cnc2cn1.
What is the InChIKey of 3-[4-(6-azaspiro[3.4]octan-6-yl)pyrimidin-2-yl]-6-(difluoromethyl)imidazo[1,2-a]pyrazine?
The InChIKey is ZKVQWTWORIAPNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18F2N6/c19-16(20)12-10-26-13(8-23-15(26)9-22-12)17-21-6-2-14(24-17)25-7-5-18(11-25)3-1-4-18/h2,6,8-10,16H,1,3-5,7,11H2.
What are the key properties of 3-[4-(6-azaspiro[3.4]octan-6-yl)pyrimidin-2-yl]-6-(difluoromethyl)imidazo[1,2-a]pyrazine?
3-[4-(6-azaspiro[3.4]octan-6-yl)pyrimidin-2-yl]-6-(difluoromethyl)imidazo[1,2-a]pyrazine has a molecular weight of 356.38 g/mol, XLogP of 3.50, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(6-azaspiro[3.4]octan-6-yl)pyrimidin-2-yl]-6-(difluoromethyl)imidazo[1,2-a]pyrazine is sourced from PubChem (CID 139357720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).