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

C15H14ClF3N4O2 — CID 171808185

IUPAC3-chloro-1,4,7-trimethyl-6-[1-(trifluoromethyl)pyrazole-4-carbonyl]-5,7-dihydropyrrolo[3,4-b]pyridin-2-one
SMILESCc1c2c(n(C)c(=O)c1Cl)C(C)N(C(=O)c1cnn(C(F)(F)F)c1)C2
InChIInChI=1S/C15H14ClF3N4O2/c1-7-10-6-22(8(2)12(10)21(3)14(25)11(7)16)13(24)9-4-20-23(5-9)15(17,18)19/h4-5,8H,6H2,1-3H3
InChIKeyPGXKILSUVMRZFF-UHFFFAOYSA-N
MW374.75 g/mol
LogP2.74
Rot. Bonds1

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

3-chloro-1,4,7-trimethyl-6-[1-(trifluoromethyl)pyrazole-4-carbonyl]-5,7-dihydropyrrolo[3,4-b]pyridin-2-one (PubChem CID 171808185) has the molecular formula C15H14ClF3N4O2 and a molecular weight of 374.75 g/mol. Its IUPAC name is 3-chloro-1,4,7-trimethyl-6-[1-(trifluoromethyl)pyrazole-4-carbonyl]-5,7-dihydropyrrolo[3,4-b]pyridin-2-one.

Molecular Properties

Compound Name3-chloro-1,4,7-trimethyl-6-[1-(trifluoromethyl)pyrazole-4-carbonyl]-5,7-dihydropyrrolo[3,4-b]pyridin-2-one
PubChem CID171808185
Molecular FormulaC15H14ClF3N4O2
Molecular Weight374.75 g/mol
Exact Mass374.08
IUPAC Name3-chloro-1,4,7-trimethyl-6-[1-(trifluoromethyl)pyrazole-4-carbonyl]-5,7-dihydropyrrolo[3,4-b]pyridin-2-one
SMILESCc1c2c(n(C)c(=O)c1Cl)C(C)N(C(=O)c1cnn(C(F)(F)F)c1)C2
InChIInChI=1S/C15H14ClF3N4O2/c1-7-10-6-22(8(2)12(10)21(3)14(25)11(7)16)13(24)9-4-20-23(5-9)15(17,18)19/h4-5,8H,6H2,1-3H3
InChIKeyPGXKILSUVMRZFF-UHFFFAOYSA-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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-chloro-1,4,7-trimethyl-6-[1-(trifluoromethyl)pyrazole-4-carbonyl]-5,7-dihydropyrrolo[3,4-b]pyridin-2-one?
The IUPAC name of 3-chloro-1,4,7-trimethyl-6-[1-(trifluoromethyl)pyrazole-4-carbonyl]-5,7-dihydropyrrolo[3,4-b]pyridin-2-one (CID 171808185) is 3-chloro-1,4,7-trimethyl-6-[1-(trifluoromethyl)pyrazole-4-carbonyl]-5,7-dihydropyrrolo[3,4-b]pyridin-2-one.
What is the SMILES notation for 3-chloro-1,4,7-trimethyl-6-[1-(trifluoromethyl)pyrazole-4-carbonyl]-5,7-dihydropyrrolo[3,4-b]pyridin-2-one?
The canonical SMILES for 3-chloro-1,4,7-trimethyl-6-[1-(trifluoromethyl)pyrazole-4-carbonyl]-5,7-dihydropyrrolo[3,4-b]pyridin-2-one is Cc1c2c(n(C)c(=O)c1Cl)C(C)N(C(=O)c1cnn(C(F)(F)F)c1)C2.
What is the InChIKey of 3-chloro-1,4,7-trimethyl-6-[1-(trifluoromethyl)pyrazole-4-carbonyl]-5,7-dihydropyrrolo[3,4-b]pyridin-2-one?
The InChIKey is PGXKILSUVMRZFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClF3N4O2/c1-7-10-6-22(8(2)12(10)21(3)14(25)11(7)16)13(24)9-4-20-23(5-9)15(17,18)19/h4-5,8H,6H2,1-3H3.
What are the key properties of 3-chloro-1,4,7-trimethyl-6-[1-(trifluoromethyl)pyrazole-4-carbonyl]-5,7-dihydropyrrolo[3,4-b]pyridin-2-one?
3-chloro-1,4,7-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 3-chloro-1,4,7-trimethyl-6-[1-(trifluoromethyl)pyrazole-4-carbonyl]-5,7-dihydropyrrolo[3,4-b]pyridin-2-one is sourced from PubChem (CID 171808185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).