1-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]pyrrolidin-3-ol

C15H14F2N6O — CID 139357728

IUPAC1-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]pyrrolidin-3-ol
SMILESOC1CCN(c2ccnc(-c3cnc4cnc(C(F)F)cn34)n2)C1
InChIInChI=1S/C15H14F2N6O/c16-14(17)10-8-23-11(5-20-13(23)6-19-10)15-18-3-1-12(21-15)22-4-2-9(24)7-22/h1,3,5-6,8-9,14,24H,2,4,7H2
InChIKeyVFPWWKAVQUJYLG-UHFFFAOYSA-N
MW332.31 g/mol
LogP1.69
Rot. Bonds3

About 1-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]pyrrolidin-3-ol

1-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]pyrrolidin-3-ol (PubChem CID 139357728) has the molecular formula C15H14F2N6O and a molecular weight of 332.31 g/mol. Its IUPAC name is 1-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]pyrrolidin-3-ol.

Molecular Properties

Compound Name1-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]pyrrolidin-3-ol
PubChem CID139357728
Molecular FormulaC15H14F2N6O
Molecular Weight332.31 g/mol
Exact Mass332.12
IUPAC Name1-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]pyrrolidin-3-ol
SMILESOC1CCN(c2ccnc(-c3cnc4cnc(C(F)F)cn34)n2)C1
InChIInChI=1S/C15H14F2N6O/c16-14(17)10-8-23-11(5-20-13(23)6-19-10)15-18-3-1-12(21-15)22-4-2-9(24)7-22/h1,3,5-6,8-9,14,24H,2,4,7H2
InChIKeyVFPWWKAVQUJYLG-UHFFFAOYSA-N
XLogP1.69
TPSA79.44 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.31
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]pyrrolidin-3-ol?
The IUPAC name of 1-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]pyrrolidin-3-ol (CID 139357728) is 1-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]pyrrolidin-3-ol.
What is the SMILES notation for 1-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]pyrrolidin-3-ol?
The canonical SMILES for 1-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]pyrrolidin-3-ol is OC1CCN(c2ccnc(-c3cnc4cnc(C(F)F)cn34)n2)C1.
What is the InChIKey of 1-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]pyrrolidin-3-ol?
The InChIKey is VFPWWKAVQUJYLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14F2N6O/c16-14(17)10-8-23-11(5-20-13(23)6-19-10)15-18-3-1-12(21-15)22-4-2-9(24)7-22/h1,3,5-6,8-9,14,24H,2,4,7H2.
What are the key properties of 1-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]pyrrolidin-3-ol?
1-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]pyrrolidin-3-ol has a molecular weight of 332.31 g/mol, XLogP of 1.69, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]pyrrolidin-3-ol is sourced from PubChem (CID 139357728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).