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

C19H19F2N5O2 — CID 118401290

IUPAC(4R)-4-[(1R)-1-[6-[6-(difluoromethyl)-3-pyridinyl]-2-methylpyrazolo[4,3-c]pyridin-4-yl]oxyethyl]pyrrolidin-2-one
SMILESC[C@@H](Oc1nc(-c2ccc(C(F)F)nc2)cc2nn(C)cc12)[C@H]1CNC(=O)C1
InChIInChI=1S/C19H19F2N5O2/c1-10(12-5-17(27)23-8-12)28-19-13-9-26(2)25-16(13)6-15(24-19)11-3-4-14(18(20)21)22-7-11/h3-4,6-7,9-10,12,18H,5,8H2,1-2H3,(H,23,27)/t10-,12-/m1/s1
InChIKeyRIJYTTSEVSNUHO-ZYHUDNBSSA-N
MW387.39 g/mol
LogP2.87
Rot. Bonds5

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

(4R)-4-[(1R)-1-[6-[6-(difluoromethyl)-3-pyridinyl]-2-methylpyrazolo[4,3-c]pyridin-4-yl]oxyethyl]pyrrolidin-2-one (PubChem CID 118401290) has the molecular formula C19H19F2N5O2 and a molecular weight of 387.39 g/mol. Its IUPAC name is (4R)-4-[(1R)-1-[6-[6-(difluoromethyl)-3-pyridinyl]-2-methylpyrazolo[4,3-c]pyridin-4-yl]oxyethyl]pyrrolidin-2-one.

Molecular Properties

Compound Name(4R)-4-[(1R)-1-[6-[6-(difluoromethyl)-3-pyridinyl]-2-methylpyrazolo[4,3-c]pyridin-4-yl]oxyethyl]pyrrolidin-2-one
PubChem CID118401290
Molecular FormulaC19H19F2N5O2
Molecular Weight387.39 g/mol
Exact Mass387.15
IUPAC Name(4R)-4-[(1R)-1-[6-[6-(difluoromethyl)-3-pyridinyl]-2-methylpyrazolo[4,3-c]pyridin-4-yl]oxyethyl]pyrrolidin-2-one
SMILESC[C@@H](Oc1nc(-c2ccc(C(F)F)nc2)cc2nn(C)cc12)[C@H]1CNC(=O)C1
InChIInChI=1S/C19H19F2N5O2/c1-10(12-5-17(27)23-8-12)28-19-13-9-26(2)25-16(13)6-15(24-19)11-3-4-14(18(20)21)22-7-11/h3-4,6-7,9-10,12,18H,5,8H2,1-2H3,(H,23,27)/t10-,12-/m1/s1
InChIKeyRIJYTTSEVSNUHO-ZYHUDNBSSA-N
XLogP2.87
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.39
LogP ≤ 52.87
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-[6-(difluoromethyl)-3-pyridinyl]-2-methylpyrazolo[4,3-c]pyridin-4-yl]oxyethyl]pyrrolidin-2-one?
The IUPAC name of (4R)-4-[(1R)-1-[6-[6-(difluoromethyl)-3-pyridinyl]-2-methylpyrazolo[4,3-c]pyridin-4-yl]oxyethyl]pyrrolidin-2-one (CID 118401290) is (4R)-4-[(1R)-1-[6-[6-(difluoromethyl)-3-pyridinyl]-2-methylpyrazolo[4,3-c]pyridin-4-yl]oxyethyl]pyrrolidin-2-one.
What is the SMILES notation for (4R)-4-[(1R)-1-[6-[6-(difluoromethyl)-3-pyridinyl]-2-methylpyrazolo[4,3-c]pyridin-4-yl]oxyethyl]pyrrolidin-2-one?
The canonical SMILES for (4R)-4-[(1R)-1-[6-[6-(difluoromethyl)-3-pyridinyl]-2-methylpyrazolo[4,3-c]pyridin-4-yl]oxyethyl]pyrrolidin-2-one is C[C@@H](Oc1nc(-c2ccc(C(F)F)nc2)cc2nn(C)cc12)[C@H]1CNC(=O)C1.
What is the InChIKey of (4R)-4-[(1R)-1-[6-[6-(difluoromethyl)-3-pyridinyl]-2-methylpyrazolo[4,3-c]pyridin-4-yl]oxyethyl]pyrrolidin-2-one?
The InChIKey is RIJYTTSEVSNUHO-ZYHUDNBSSA-N. The full InChI is InChI=1S/C19H19F2N5O2/c1-10(12-5-17(27)23-8-12)28-19-13-9-26(2)25-16(13)6-15(24-19)11-3-4-14(18(20)21)22-7-11/h3-4,6-7,9-10,12,18H,5,8H2,1-2H3,(H,23,27)/t10-,12-/m1/s1.
What are the key properties of (4R)-4-[(1R)-1-[6-[6-(difluoromethyl)-3-pyridinyl]-2-methylpyrazolo[4,3-c]pyridin-4-yl]oxyethyl]pyrrolidin-2-one?
(4R)-4-[(1R)-1-[6-[6-(difluoromethyl)-3-pyridinyl]-2-methylpyrazolo[4,3-c]pyridin-4-yl]oxyethyl]pyrrolidin-2-one has a molecular weight of 387.39 g/mol, XLogP of 2.87, 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-[6-(difluoromethyl)-3-pyridinyl]-2-methylpyrazolo[4,3-c]pyridin-4-yl]oxyethyl]pyrrolidin-2-one is sourced from PubChem (CID 118401290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).