(4R)-4-[1-[6-[1-(difluoromethyl)imidazol-4-yl]-2-methylpyrazolo[4,3-c]pyridin-4-yl]oxyethyl]pyrrolidin-2-one

C17H18F2N6O2 — CID 146943239

IUPAC(4R)-4-[1-[6-[1-(difluoromethyl)imidazol-4-yl]-2-methylpyrazolo[4,3-c]pyridin-4-yl]oxyethyl]pyrrolidin-2-one
SMILESCC(Oc1nc(-c2cn(C(F)F)cn2)cc2nn(C)cc12)[C@H]1CNC(=O)C1
InChIInChI=1S/C17H18F2N6O2/c1-9(10-3-15(26)20-5-10)27-16-11-6-24(2)23-12(11)4-13(22-16)14-7-25(8-21-14)17(18)19/h4,6-10,17H,3,5H2,1-2H3,(H,20,26)/t9?,10-/m1/s1
InChIKeyAHHIEJBEALOYAL-QVDQXJPCSA-N
MW376.37 g/mol
LogP2.13
Rot. Bonds5

About (4R)-4-[1-[6-[1-(difluoromethyl)imidazol-4-yl]-2-methylpyrazolo[4,3-c]pyridin-4-yl]oxyethyl]pyrrolidin-2-one

(4R)-4-[1-[6-[1-(difluoromethyl)imidazol-4-yl]-2-methylpyrazolo[4,3-c]pyridin-4-yl]oxyethyl]pyrrolidin-2-one (PubChem CID 146943239) has the molecular formula C17H18F2N6O2 and a molecular weight of 376.37 g/mol. Its IUPAC name is (4R)-4-[1-[6-[1-(difluoromethyl)imidazol-4-yl]-2-methylpyrazolo[4,3-c]pyridin-4-yl]oxyethyl]pyrrolidin-2-one.

Molecular Properties

Compound Name(4R)-4-[1-[6-[1-(difluoromethyl)imidazol-4-yl]-2-methylpyrazolo[4,3-c]pyridin-4-yl]oxyethyl]pyrrolidin-2-one
PubChem CID146943239
Molecular FormulaC17H18F2N6O2
Molecular Weight376.37 g/mol
Exact Mass376.15
IUPAC Name(4R)-4-[1-[6-[1-(difluoromethyl)imidazol-4-yl]-2-methylpyrazolo[4,3-c]pyridin-4-yl]oxyethyl]pyrrolidin-2-one
SMILESCC(Oc1nc(-c2cn(C(F)F)cn2)cc2nn(C)cc12)[C@H]1CNC(=O)C1
InChIInChI=1S/C17H18F2N6O2/c1-9(10-3-15(26)20-5-10)27-16-11-6-24(2)23-12(11)4-13(22-16)14-7-25(8-21-14)17(18)19/h4,6-10,17H,3,5H2,1-2H3,(H,20,26)/t9?,10-/m1/s1
InChIKeyAHHIEJBEALOYAL-QVDQXJPCSA-N
XLogP2.13
TPSA86.86 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.37
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of (4R)-4-[1-[6-[1-(difluoromethyl)imidazol-4-yl]-2-methylpyrazolo[4,3-c]pyridin-4-yl]oxyethyl]pyrrolidin-2-one?
The IUPAC name of (4R)-4-[1-[6-[1-(difluoromethyl)imidazol-4-yl]-2-methylpyrazolo[4,3-c]pyridin-4-yl]oxyethyl]pyrrolidin-2-one (CID 146943239) is (4R)-4-[1-[6-[1-(difluoromethyl)imidazol-4-yl]-2-methylpyrazolo[4,3-c]pyridin-4-yl]oxyethyl]pyrrolidin-2-one.
What is the SMILES notation for (4R)-4-[1-[6-[1-(difluoromethyl)imidazol-4-yl]-2-methylpyrazolo[4,3-c]pyridin-4-yl]oxyethyl]pyrrolidin-2-one?
The canonical SMILES for (4R)-4-[1-[6-[1-(difluoromethyl)imidazol-4-yl]-2-methylpyrazolo[4,3-c]pyridin-4-yl]oxyethyl]pyrrolidin-2-one is CC(Oc1nc(-c2cn(C(F)F)cn2)cc2nn(C)cc12)[C@H]1CNC(=O)C1.
What is the InChIKey of (4R)-4-[1-[6-[1-(difluoromethyl)imidazol-4-yl]-2-methylpyrazolo[4,3-c]pyridin-4-yl]oxyethyl]pyrrolidin-2-one?
The InChIKey is AHHIEJBEALOYAL-QVDQXJPCSA-N. The full InChI is InChI=1S/C17H18F2N6O2/c1-9(10-3-15(26)20-5-10)27-16-11-6-24(2)23-12(11)4-13(22-16)14-7-25(8-21-14)17(18)19/h4,6-10,17H,3,5H2,1-2H3,(H,20,26)/t9?,10-/m1/s1.
What are the key properties of (4R)-4-[1-[6-[1-(difluoromethyl)imidazol-4-yl]-2-methylpyrazolo[4,3-c]pyridin-4-yl]oxyethyl]pyrrolidin-2-one?
(4R)-4-[1-[6-[1-(difluoromethyl)imidazol-4-yl]-2-methylpyrazolo[4,3-c]pyridin-4-yl]oxyethyl]pyrrolidin-2-one has a molecular weight of 376.37 g/mol, XLogP of 2.13, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-[1-[6-[1-(difluoromethyl)imidazol-4-yl]-2-methylpyrazolo[4,3-c]pyridin-4-yl]oxyethyl]pyrrolidin-2-one is sourced from PubChem (CID 146943239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).