(4R)-4-[(1R)-1-[6-[1-(difluoromethyl)pyrazol-4-yl]-2-methylindazol-4-yl]oxyethyl]pyrrolidin-2-one

C18H19F2N5O2 — CID 118401366

IUPAC(4R)-4-[(1R)-1-[6-[1-(difluoromethyl)pyrazol-4-yl]-2-methylindazol-4-yl]oxyethyl]pyrrolidin-2-one
SMILESC[C@@H](Oc1cc(-c2cnn(C(F)F)c2)cc2nn(C)cc12)[C@H]1CNC(=O)C1
InChIInChI=1S/C18H19F2N5O2/c1-10(12-5-17(26)21-6-12)27-16-4-11(3-15-14(16)9-24(2)23-15)13-7-22-25(8-13)18(19)20/h3-4,7-10,12,18H,5-6H2,1-2H3,(H,21,26)/t10-,12-/m1/s1
InChIKeyNCUGBUHSRBVPIG-ZYHUDNBSSA-N
MW375.38 g/mol
LogP2.74
Rot. Bonds5

About (4R)-4-[(1R)-1-[6-[1-(difluoromethyl)pyrazol-4-yl]-2-methylindazol-4-yl]oxyethyl]pyrrolidin-2-one

(4R)-4-[(1R)-1-[6-[1-(difluoromethyl)pyrazol-4-yl]-2-methylindazol-4-yl]oxyethyl]pyrrolidin-2-one (PubChem CID 118401366) has the molecular formula C18H19F2N5O2 and a molecular weight of 375.38 g/mol. Its IUPAC name is (4R)-4-[(1R)-1-[6-[1-(difluoromethyl)pyrazol-4-yl]-2-methylindazol-4-yl]oxyethyl]pyrrolidin-2-one.

Molecular Properties

Compound Name(4R)-4-[(1R)-1-[6-[1-(difluoromethyl)pyrazol-4-yl]-2-methylindazol-4-yl]oxyethyl]pyrrolidin-2-one
PubChem CID118401366
Molecular FormulaC18H19F2N5O2
Molecular Weight375.38 g/mol
Exact Mass375.15
IUPAC Name(4R)-4-[(1R)-1-[6-[1-(difluoromethyl)pyrazol-4-yl]-2-methylindazol-4-yl]oxyethyl]pyrrolidin-2-one
SMILESC[C@@H](Oc1cc(-c2cnn(C(F)F)c2)cc2nn(C)cc12)[C@H]1CNC(=O)C1
InChIInChI=1S/C18H19F2N5O2/c1-10(12-5-17(26)21-6-12)27-16-4-11(3-15-14(16)9-24(2)23-15)13-7-22-25(8-13)18(19)20/h3-4,7-10,12,18H,5-6H2,1-2H3,(H,21,26)/t10-,12-/m1/s1
InChIKeyNCUGBUHSRBVPIG-ZYHUDNBSSA-N
XLogP2.74
TPSA73.97 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.38
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (4R)-4-[(1R)-1-[6-[1-(difluoromethyl)pyrazol-4-yl]-2-methylindazol-4-yl]oxyethyl]pyrrolidin-2-one?
The IUPAC name of (4R)-4-[(1R)-1-[6-[1-(difluoromethyl)pyrazol-4-yl]-2-methylindazol-4-yl]oxyethyl]pyrrolidin-2-one (CID 118401366) is (4R)-4-[(1R)-1-[6-[1-(difluoromethyl)pyrazol-4-yl]-2-methylindazol-4-yl]oxyethyl]pyrrolidin-2-one.
What is the SMILES notation for (4R)-4-[(1R)-1-[6-[1-(difluoromethyl)pyrazol-4-yl]-2-methylindazol-4-yl]oxyethyl]pyrrolidin-2-one?
The canonical SMILES for (4R)-4-[(1R)-1-[6-[1-(difluoromethyl)pyrazol-4-yl]-2-methylindazol-4-yl]oxyethyl]pyrrolidin-2-one is C[C@@H](Oc1cc(-c2cnn(C(F)F)c2)cc2nn(C)cc12)[C@H]1CNC(=O)C1.
What is the InChIKey of (4R)-4-[(1R)-1-[6-[1-(difluoromethyl)pyrazol-4-yl]-2-methylindazol-4-yl]oxyethyl]pyrrolidin-2-one?
The InChIKey is NCUGBUHSRBVPIG-ZYHUDNBSSA-N. The full InChI is InChI=1S/C18H19F2N5O2/c1-10(12-5-17(26)21-6-12)27-16-4-11(3-15-14(16)9-24(2)23-15)13-7-22-25(8-13)18(19)20/h3-4,7-10,12,18H,5-6H2,1-2H3,(H,21,26)/t10-,12-/m1/s1.
What are the key properties of (4R)-4-[(1R)-1-[6-[1-(difluoromethyl)pyrazol-4-yl]-2-methylindazol-4-yl]oxyethyl]pyrrolidin-2-one?
(4R)-4-[(1R)-1-[6-[1-(difluoromethyl)pyrazol-4-yl]-2-methylindazol-4-yl]oxyethyl]pyrrolidin-2-one has a molecular weight of 375.38 g/mol, XLogP of 2.74, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-[(1R)-1-[6-[1-(difluoromethyl)pyrazol-4-yl]-2-methylindazol-4-yl]oxyethyl]pyrrolidin-2-one is sourced from PubChem (CID 118401366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).