4-methyl-2-[6-methyl-5-(2,2,2-trifluoroethoxy)-3-pyridinyl]-6-[1-(oxolan-3-yl)pyrazol-3-yl]-7H-pyrrolo[3,4-b]pyridin-5-one

C23H22F3N5O3 — CID 77449394

IUPAC4-methyl-2-[6-methyl-5-(2,2,2-trifluoroethoxy)-3-pyridinyl]-6-[1-(oxolan-3-yl)pyrazol-3-yl]-7H-pyrrolo[3,4-b]pyridin-5-one
SMILESCc1cc(-c2cnc(C)c(OCC(F)(F)F)c2)nc2c1C(=O)N(c1ccn(C3CCOC3)n1)C2
InChIInChI=1S/C23H22F3N5O3/c1-13-7-17(15-8-19(14(2)27-9-15)34-12-23(24,25)26)28-18-10-30(22(32)21(13)18)20-3-5-31(29-20)16-4-6-33-11-16/h3,5,7-9,16H,4,6,10-12H2,1-2H3
InChIKeyQMRBMBDYADHZEX-UHFFFAOYSA-N
MW473.46 g/mol
LogP4.02
Rot. Bonds5

About 4-methyl-2-[6-methyl-5-(2,2,2-trifluoroethoxy)-3-pyridinyl]-6-[1-(oxolan-3-yl)pyrazol-3-yl]-7H-pyrrolo[3,4-b]pyridin-5-one

4-methyl-2-[6-methyl-5-(2,2,2-trifluoroethoxy)-3-pyridinyl]-6-[1-(oxolan-3-yl)pyrazol-3-yl]-7H-pyrrolo[3,4-b]pyridin-5-one (PubChem CID 77449394) has the molecular formula C23H22F3N5O3 and a molecular weight of 473.46 g/mol. Its IUPAC name is 4-methyl-2-[6-methyl-5-(2,2,2-trifluoroethoxy)-3-pyridinyl]-6-[1-(oxolan-3-yl)pyrazol-3-yl]-7H-pyrrolo[3,4-b]pyridin-5-one.

Molecular Properties

Compound Name4-methyl-2-[6-methyl-5-(2,2,2-trifluoroethoxy)-3-pyridinyl]-6-[1-(oxolan-3-yl)pyrazol-3-yl]-7H-pyrrolo[3,4-b]pyridin-5-one
PubChem CID77449394
Molecular FormulaC23H22F3N5O3
Molecular Weight473.46 g/mol
Exact Mass473.17
IUPAC Name4-methyl-2-[6-methyl-5-(2,2,2-trifluoroethoxy)-3-pyridinyl]-6-[1-(oxolan-3-yl)pyrazol-3-yl]-7H-pyrrolo[3,4-b]pyridin-5-one
SMILESCc1cc(-c2cnc(C)c(OCC(F)(F)F)c2)nc2c1C(=O)N(c1ccn(C3CCOC3)n1)C2
InChIInChI=1S/C23H22F3N5O3/c1-13-7-17(15-8-19(14(2)27-9-15)34-12-23(24,25)26)28-18-10-30(22(32)21(13)18)20-3-5-31(29-20)16-4-6-33-11-16/h3,5,7-9,16H,4,6,10-12H2,1-2H3
InChIKeyQMRBMBDYADHZEX-UHFFFAOYSA-N
XLogP4.02
TPSA82.37 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.46
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 4-methyl-2-[6-methyl-5-(2,2,2-trifluoroethoxy)-3-pyridinyl]-6-[1-(oxolan-3-yl)pyrazol-3-yl]-7H-pyrrolo[3,4-b]pyridin-5-one with MolForge

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Related Compounds

4-methyl-2-[6-methyl-5-(2,2,2-trifluoroethoxy)-3-pyridinyl]-6-[1-(oxolan-3-yl)pyrazol-3-yl]pyrrolo[3,4-b]pyridin-5-ol
CID 137059226
2-(6-fluoro-5-methoxy-3-pyridinyl)-4-methyl-6-[1-[(3S)-oxolan-3-yl]pyrazol-3-yl]pyrrolo[3,4-b]pyridin-5-ol
CID 137092662
4-methyl-2-[5-(2,2,2-trifluoroethoxy)-3-pyridinyl]-6-[1-(2,2,2-trifluoroethyl)imidazol-4-yl]-7H-pyrrolo[3,4-b]pyridin-5-one
CID 88573833
3-(2,5-dimethylpyrrol-1-yl)-1-[(3S)-oxolan-3-yl]pyrazole
CID 157041913
(7S)-2-(5,6-dimethoxy-3-pyridinyl)-4-methyl-7-(oxolan-3-yl)-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-7H-pyrrolo[3,4-b]pyridin-5-one
CID 162567563
2-(6-ethoxy-5-methoxy-3-pyridinyl)-4-methyl-6-(1H-pyrazol-4-yl)-7H-pyrrolo[3,4-b]pyridin-5-one
CID 131995079
2-(5,6-dimethoxy-3-pyridinyl)-6-(5-methanimidoyl-3-pyridinyl)-4-methyl-7H-pyrrolo[3,4-b]pyridin-5-one
CID 131995238
[1-(oxolan-3-yl)pyrazol-3-yl]methanol
CID 168728333
3-tert-butyl-1-(oxolan-3-yl)pyrazole
CID 130570273
2-(5,6-dimethoxy-3-pyridinyl)-4-ethyl-7,7-dimethyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolo[3,4-b]pyridin-5-one;2-(5-ethoxy-6-methyl-3-pyridinyl)-4,7,7-trimethyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolo[3,4-b]pyridin-5-one;2-(5-ethoxy-3-pyridinyl)-7-methoxy-4,7-dimethyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolo[3,4-b]pyridin-5-one;2-(5-ethoxy-3-pyridinyl)-7-methoxy-4-methyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-7H-pyrrolo[3,4-b]pyridin-5-one;2-(5-hydroxy-6-methyl-3-pyridinyl)-4,7,7-trimethyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolo[3,4-b]pyridin-5-one;2-(5-methoxy-3-pyridinyl)-4,7,7-trimethyl-6-[1-[(3R)-oxolan-3-yl]pyrazol-4-yl]pyrrolo[3,4-b]pyridin-5-one
CID 159948394
1-(oxan-3-yl)-3-(trifluoromethyl)pyrazole
CID 107137610
4-[4-fluoro-2-(2,2,2-trifluoroethoxy)phenyl]-2-(1-methylpyrazol-3-yl)-3H-pyrrolo[3,4-c]pyridin-1-one
CID 163405336

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-[6-methyl-5-(2,2,2-trifluoroethoxy)-3-pyridinyl]-6-[1-(oxolan-3-yl)pyrazol-3-yl]-7H-pyrrolo[3,4-b]pyridin-5-one?
The IUPAC name of 4-methyl-2-[6-methyl-5-(2,2,2-trifluoroethoxy)-3-pyridinyl]-6-[1-(oxolan-3-yl)pyrazol-3-yl]-7H-pyrrolo[3,4-b]pyridin-5-one (CID 77449394) is 4-methyl-2-[6-methyl-5-(2,2,2-trifluoroethoxy)-3-pyridinyl]-6-[1-(oxolan-3-yl)pyrazol-3-yl]-7H-pyrrolo[3,4-b]pyridin-5-one.
What is the SMILES notation for 4-methyl-2-[6-methyl-5-(2,2,2-trifluoroethoxy)-3-pyridinyl]-6-[1-(oxolan-3-yl)pyrazol-3-yl]-7H-pyrrolo[3,4-b]pyridin-5-one?
The canonical SMILES for 4-methyl-2-[6-methyl-5-(2,2,2-trifluoroethoxy)-3-pyridinyl]-6-[1-(oxolan-3-yl)pyrazol-3-yl]-7H-pyrrolo[3,4-b]pyridin-5-one is Cc1cc(-c2cnc(C)c(OCC(F)(F)F)c2)nc2c1C(=O)N(c1ccn(C3CCOC3)n1)C2.
What is the InChIKey of 4-methyl-2-[6-methyl-5-(2,2,2-trifluoroethoxy)-3-pyridinyl]-6-[1-(oxolan-3-yl)pyrazol-3-yl]-7H-pyrrolo[3,4-b]pyridin-5-one?
The InChIKey is QMRBMBDYADHZEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22F3N5O3/c1-13-7-17(15-8-19(14(2)27-9-15)34-12-23(24,25)26)28-18-10-30(22(32)21(13)18)20-3-5-31(29-20)16-4-6-33-11-16/h3,5,7-9,16H,4,6,10-12H2,1-2H3.
What are the key properties of 4-methyl-2-[6-methyl-5-(2,2,2-trifluoroethoxy)-3-pyridinyl]-6-[1-(oxolan-3-yl)pyrazol-3-yl]-7H-pyrrolo[3,4-b]pyridin-5-one?
4-methyl-2-[6-methyl-5-(2,2,2-trifluoroethoxy)-3-pyridinyl]-6-[1-(oxolan-3-yl)pyrazol-3-yl]-7H-pyrrolo[3,4-b]pyridin-5-one has a molecular weight of 473.46 g/mol, XLogP of 4.02, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-[6-methyl-5-(2,2,2-trifluoroethoxy)-3-pyridinyl]-6-[1-(oxolan-3-yl)pyrazol-3-yl]-7H-pyrrolo[3,4-b]pyridin-5-one is sourced from PubChem (CID 77449394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).