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

C15H14ClF3N4O2 — CID 171808254

IUPAC(5R)-3-chloro-1,4,5-trimethyl-6-[1-(trifluoromethyl)pyrazole-4-carbonyl]-5,7-dihydropyrrolo[3,4-b]pyridin-2-one
SMILESCc1c2c(n(C)c(=O)c1Cl)CN(C(=O)c1cnn(C(F)(F)F)c1)[C@@H]2C
InChIInChI=1S/C15H14ClF3N4O2/c1-7-11-8(2)22(6-10(11)21(3)14(25)12(7)16)13(24)9-4-20-23(5-9)15(17,18)19/h4-5,8H,6H2,1-3H3/t8-/m1/s1
InChIKeyDCJSRWXBJGIRAK-MRVPVSSYSA-N
MW374.75 g/mol
LogP2.74
Rot. Bonds1

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

(5R)-3-chloro-1,4,5-trimethyl-6-[1-(trifluoromethyl)pyrazole-4-carbonyl]-5,7-dihydropyrrolo[3,4-b]pyridin-2-one (PubChem CID 171808254) has the molecular formula C15H14ClF3N4O2 and a molecular weight of 374.75 g/mol. Its IUPAC name is (5R)-3-chloro-1,4,5-trimethyl-6-[1-(trifluoromethyl)pyrazole-4-carbonyl]-5,7-dihydropyrrolo[3,4-b]pyridin-2-one.

Molecular Properties

Compound Name(5R)-3-chloro-1,4,5-trimethyl-6-[1-(trifluoromethyl)pyrazole-4-carbonyl]-5,7-dihydropyrrolo[3,4-b]pyridin-2-one
PubChem CID171808254
Molecular FormulaC15H14ClF3N4O2
Molecular Weight374.75 g/mol
Exact Mass374.08
IUPAC Name(5R)-3-chloro-1,4,5-trimethyl-6-[1-(trifluoromethyl)pyrazole-4-carbonyl]-5,7-dihydropyrrolo[3,4-b]pyridin-2-one
SMILESCc1c2c(n(C)c(=O)c1Cl)CN(C(=O)c1cnn(C(F)(F)F)c1)[C@@H]2C
InChIInChI=1S/C15H14ClF3N4O2/c1-7-11-8(2)22(6-10(11)21(3)14(25)12(7)16)13(24)9-4-20-23(5-9)15(17,18)19/h4-5,8H,6H2,1-3H3/t8-/m1/s1
InChIKeyDCJSRWXBJGIRAK-MRVPVSSYSA-N
XLogP2.74
TPSA60.13 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.75
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-Chloro-1,4,7-trimethyl-6-[1-(trifluoromethyl)pyrazole-4-carbonyl]-5,7-dihydropyrrolo[3,4-b]pyridin-2-one
CID 171808185
(5R)-3-fluoro-1,4,5-trimethyl-6-[1-(trifluoromethyl)pyrazole-4-carbonyl]-5,7-dihydropyrrolo[3,4-b]pyridin-2-one
CID 171808209
1,3,4-Trimethyl-6-[1-(trifluoromethyl)pyrazole-4-carbonyl]-5,7-dihydropyrrolo[3,4-b]pyridin-2-one
CID 171808225
3-Chloro-1,4-dimethyl-6-[1-(2,2,2-trifluoroethyl)pyrazole-4-carbonyl]-5,7-dihydropyrrolo[3,4-b]pyridin-2-one
CID 171808238
(5R)-1,3,4,5-tetramethyl-6-[1-(trifluoromethyl)pyrazole-4-carbonyl]-5,7-dihydropyrrolo[3,4-b]pyridin-2-one
CID 171808239
1,4,5-Trimethyl-6-[1-(trifluoromethyl)pyrazole-4-carbonyl]-5,7-dihydropyrrolo[3,4-b]pyridin-2-one
CID 171808242
1,3-Dimethyl-4-methylsulfanyl-6-[1-(trifluoromethyl)pyrazole-4-carbonyl]-5,7-dihydropyrrolo[3,4-b]pyridin-2-one
CID 171808257
1,4-Dimethyl-6-(1-methylpyrazole-4-carbonyl)-3-(trifluoromethyl)-5,7-dihydropyrrolo[3,4-b]pyridin-2-one
CID 171808258
3-Chloro-1,4-dimethyl-6-[1-(trifluoromethyl)pyrazole-4-carbonyl]-5,7-dihydropyrrolo[3,4-b]pyridin-2-one
CID 171808289
(5R)-3-chloro-6-[1-(difluoromethyl)pyrazole-4-carbonyl]-1,4,5-trimethyl-5,7-dihydropyrrolo[3,4-b]pyridin-2-one
CID 171808308
4-Methoxy-1,5-dimethyl-6-[1-(trifluoromethyl)pyrazole-4-carbonyl]-5,7-dihydropyrrolo[3,4-b]pyridin-2-one
CID 171808313
3-Fluoro-1,4-dimethyl-6-[1-(trifluoromethyl)pyrazole-4-carbonyl]-5,7-dihydropyrrolo[3,4-b]pyridin-2-one
CID 171808319

Frequently Asked Questions

What is the IUPAC name of (5R)-3-chloro-1,4,5-trimethyl-6-[1-(trifluoromethyl)pyrazole-4-carbonyl]-5,7-dihydropyrrolo[3,4-b]pyridin-2-one?
The IUPAC name of (5R)-3-chloro-1,4,5-trimethyl-6-[1-(trifluoromethyl)pyrazole-4-carbonyl]-5,7-dihydropyrrolo[3,4-b]pyridin-2-one (CID 171808254) is (5R)-3-chloro-1,4,5-trimethyl-6-[1-(trifluoromethyl)pyrazole-4-carbonyl]-5,7-dihydropyrrolo[3,4-b]pyridin-2-one.
What is the SMILES notation for (5R)-3-chloro-1,4,5-trimethyl-6-[1-(trifluoromethyl)pyrazole-4-carbonyl]-5,7-dihydropyrrolo[3,4-b]pyridin-2-one?
The canonical SMILES for (5R)-3-chloro-1,4,5-trimethyl-6-[1-(trifluoromethyl)pyrazole-4-carbonyl]-5,7-dihydropyrrolo[3,4-b]pyridin-2-one is Cc1c2c(n(C)c(=O)c1Cl)CN(C(=O)c1cnn(C(F)(F)F)c1)[C@@H]2C.
What is the InChIKey of (5R)-3-chloro-1,4,5-trimethyl-6-[1-(trifluoromethyl)pyrazole-4-carbonyl]-5,7-dihydropyrrolo[3,4-b]pyridin-2-one?
The InChIKey is DCJSRWXBJGIRAK-MRVPVSSYSA-N. The full InChI is InChI=1S/C15H14ClF3N4O2/c1-7-11-8(2)22(6-10(11)21(3)14(25)12(7)16)13(24)9-4-20-23(5-9)15(17,18)19/h4-5,8H,6H2,1-3H3/t8-/m1/s1.
What are the key properties of (5R)-3-chloro-1,4,5-trimethyl-6-[1-(trifluoromethyl)pyrazole-4-carbonyl]-5,7-dihydropyrrolo[3,4-b]pyridin-2-one?
(5R)-3-chloro-1,4,5-trimethyl-6-[1-(trifluoromethyl)pyrazole-4-carbonyl]-5,7-dihydropyrrolo[3,4-b]pyridin-2-one has a molecular weight of 374.75 g/mol, XLogP of 2.74, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-3-chloro-1,4,5-trimethyl-6-[1-(trifluoromethyl)pyrazole-4-carbonyl]-5,7-dihydropyrrolo[3,4-b]pyridin-2-one is sourced from PubChem (CID 171808254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).