(5R)-1,3,4,5-tetramethyl-6-[1-(trifluoromethyl)pyrazole-4-carbonyl]-5,7-dihydropyrrolo[3,4-b]pyridin-2-one

C16H17F3N4O2 — CID 171808239

IUPAC(5R)-1,3,4,5-tetramethyl-6-[1-(trifluoromethyl)pyrazole-4-carbonyl]-5,7-dihydropyrrolo[3,4-b]pyridin-2-one
SMILESCc1c2c(n(C)c(=O)c1C)CN(C(=O)c1cnn(C(F)(F)F)c1)[C@@H]2C
InChIInChI=1S/C16H17F3N4O2/c1-8-9(2)14(24)21(4)12-7-22(10(3)13(8)12)15(25)11-5-20-23(6-11)16(17,18)19/h5-6,10H,7H2,1-4H3/t10-/m1/s1
InChIKeyDJISYVVFZXSIQO-SNVBAGLBSA-N
MW354.33 g/mol
LogP2.39
Rot. Bonds1

About (5R)-1,3,4,5-tetramethyl-6-[1-(trifluoromethyl)pyrazole-4-carbonyl]-5,7-dihydropyrrolo[3,4-b]pyridin-2-one

(5R)-1,3,4,5-tetramethyl-6-[1-(trifluoromethyl)pyrazole-4-carbonyl]-5,7-dihydropyrrolo[3,4-b]pyridin-2-one (PubChem CID 171808239) has the molecular formula C16H17F3N4O2 and a molecular weight of 354.33 g/mol. Its IUPAC name is (5R)-1,3,4,5-tetramethyl-6-[1-(trifluoromethyl)pyrazole-4-carbonyl]-5,7-dihydropyrrolo[3,4-b]pyridin-2-one.

Molecular Properties

Compound Name(5R)-1,3,4,5-tetramethyl-6-[1-(trifluoromethyl)pyrazole-4-carbonyl]-5,7-dihydropyrrolo[3,4-b]pyridin-2-one
PubChem CID171808239
Molecular FormulaC16H17F3N4O2
Molecular Weight354.33 g/mol
Exact Mass354.13
IUPAC Name(5R)-1,3,4,5-tetramethyl-6-[1-(trifluoromethyl)pyrazole-4-carbonyl]-5,7-dihydropyrrolo[3,4-b]pyridin-2-one
SMILESCc1c2c(n(C)c(=O)c1C)CN(C(=O)c1cnn(C(F)(F)F)c1)[C@@H]2C
InChIInChI=1S/C16H17F3N4O2/c1-8-9(2)14(24)21(4)12-7-22(10(3)13(8)12)15(25)11-5-20-23(6-11)16(17,18)19/h5-6,10H,7H2,1-4H3/t10-/m1/s1
InChIKeyDJISYVVFZXSIQO-SNVBAGLBSA-N
XLogP2.39
TPSA60.13 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.33
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (5R)-1,3,4,5-tetramethyl-6-[1-(trifluoromethyl)pyrazole-4-carbonyl]-5,7-dihydropyrrolo[3,4-b]pyridin-2-one?
The IUPAC name of (5R)-1,3,4,5-tetramethyl-6-[1-(trifluoromethyl)pyrazole-4-carbonyl]-5,7-dihydropyrrolo[3,4-b]pyridin-2-one (CID 171808239) is (5R)-1,3,4,5-tetramethyl-6-[1-(trifluoromethyl)pyrazole-4-carbonyl]-5,7-dihydropyrrolo[3,4-b]pyridin-2-one.
What is the SMILES notation for (5R)-1,3,4,5-tetramethyl-6-[1-(trifluoromethyl)pyrazole-4-carbonyl]-5,7-dihydropyrrolo[3,4-b]pyridin-2-one?
The canonical SMILES for (5R)-1,3,4,5-tetramethyl-6-[1-(trifluoromethyl)pyrazole-4-carbonyl]-5,7-dihydropyrrolo[3,4-b]pyridin-2-one is Cc1c2c(n(C)c(=O)c1C)CN(C(=O)c1cnn(C(F)(F)F)c1)[C@@H]2C.
What is the InChIKey of (5R)-1,3,4,5-tetramethyl-6-[1-(trifluoromethyl)pyrazole-4-carbonyl]-5,7-dihydropyrrolo[3,4-b]pyridin-2-one?
The InChIKey is DJISYVVFZXSIQO-SNVBAGLBSA-N. The full InChI is InChI=1S/C16H17F3N4O2/c1-8-9(2)14(24)21(4)12-7-22(10(3)13(8)12)15(25)11-5-20-23(6-11)16(17,18)19/h5-6,10H,7H2,1-4H3/t10-/m1/s1.
What are the key properties of (5R)-1,3,4,5-tetramethyl-6-[1-(trifluoromethyl)pyrazole-4-carbonyl]-5,7-dihydropyrrolo[3,4-b]pyridin-2-one?
(5R)-1,3,4,5-tetramethyl-6-[1-(trifluoromethyl)pyrazole-4-carbonyl]-5,7-dihydropyrrolo[3,4-b]pyridin-2-one has a molecular weight of 354.33 g/mol, XLogP of 2.39, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-1,3,4,5-tetramethyl-6-[1-(trifluoromethyl)pyrazole-4-carbonyl]-5,7-dihydropyrrolo[3,4-b]pyridin-2-one is sourced from PubChem (CID 171808239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).