7,7-dideuterio-6-[[2,6-difluoro-4-[2-(trideuteriomethyl)pyrazolo[1,5-a]pyridin-4-yl]phenyl]methyl]pyrrolo[3,4-b]pyridin-5-one

C22H16F2N4O — CID 171760405

IUPAC7,7-dideuterio-6-[[2,6-difluoro-4-[2-(trideuteriomethyl)pyrazolo[1,5-a]pyridin-4-yl]phenyl]methyl]pyrrolo[3,4-b]pyridin-5-one
SMILES[2H]C([2H])([2H])c1cc2c(-c3cc(F)c(CN4C(=O)c5cccnc5C4([2H])[2H])c(F)c3)cccn2n1
InChIInChI=1S/C22H16F2N4O/c1-13-8-21-15(5-3-7-28(21)26-13)14-9-18(23)17(19(24)10-14)11-27-12-20-16(22(27)29)4-2-6-25-20/h2-10H,11-12H2,1H3/i1D3,12D2
InChIKeyMTCVUSDCBLJUSZ-JQKGTWBISA-N
MW395.42 g/mol
LogP4.14
Rot. Bonds4

About 7,7-dideuterio-6-[[2,6-difluoro-4-[2-(trideuteriomethyl)pyrazolo[1,5-a]pyridin-4-yl]phenyl]methyl]pyrrolo[3,4-b]pyridin-5-one

7,7-dideuterio-6-[[2,6-difluoro-4-[2-(trideuteriomethyl)pyrazolo[1,5-a]pyridin-4-yl]phenyl]methyl]pyrrolo[3,4-b]pyridin-5-one (PubChem CID 171760405) has the molecular formula C22H16F2N4O and a molecular weight of 395.42 g/mol. Its IUPAC name is 7,7-dideuterio-6-[[2,6-difluoro-4-[2-(trideuteriomethyl)pyrazolo[1,5-a]pyridin-4-yl]phenyl]methyl]pyrrolo[3,4-b]pyridin-5-one.

Molecular Properties

Compound Name7,7-dideuterio-6-[[2,6-difluoro-4-[2-(trideuteriomethyl)pyrazolo[1,5-a]pyridin-4-yl]phenyl]methyl]pyrrolo[3,4-b]pyridin-5-one
PubChem CID171760405
Molecular FormulaC22H16F2N4O
Molecular Weight395.42 g/mol
Exact Mass395.16
IUPAC Name7,7-dideuterio-6-[[2,6-difluoro-4-[2-(trideuteriomethyl)pyrazolo[1,5-a]pyridin-4-yl]phenyl]methyl]pyrrolo[3,4-b]pyridin-5-one
SMILES[2H]C([2H])([2H])c1cc2c(-c3cc(F)c(CN4C(=O)c5cccnc5C4([2H])[2H])c(F)c3)cccn2n1
InChIInChI=1S/C22H16F2N4O/c1-13-8-21-15(5-3-7-28(21)26-13)14-9-18(23)17(19(24)10-14)11-27-12-20-16(22(27)29)4-2-6-25-20/h2-10H,11-12H2,1H3/i1D3,12D2
InChIKeyMTCVUSDCBLJUSZ-JQKGTWBISA-N
XLogP4.14
TPSA50.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.42
LogP ≤ 54.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 7,7-dideuterio-6-[[2,6-difluoro-4-[2-(trideuteriomethyl)pyrazolo[1,5-a]pyridin-4-yl]phenyl]methyl]pyrrolo[3,4-b]pyridin-5-one with MolForge

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

Launch Full Analysis

Related Compounds

6-[[2,6-difluoro-4-(2-methylpyrazolo[1,5-a]pyridin-4-yl)phenyl]methyl]-7H-pyrrolo[3,4-b]pyridin-5-one
CID 166076683
7,7-dideuterio-6-[[4-(2,6-dimethylindazol-5-yl)-2,6-difluorophenyl]methyl]pyrrolo[3,4-b]pyridin-5-one
CID 171760594
7,7-dideuterio-6-[[2,6-difluoro-4-(7-methoxy-2-methylindazol-5-yl)phenyl]methyl]pyrrolo[3,4-b]pyridin-5-one
CID 171760604
7,7-dideuterio-6-[[2,6-difluoro-4-[7-(2-methoxyethoxy)-2-(trideuteriomethyl)indazol-4-yl]phenyl]methyl]pyrrolo[3,4-b]pyridin-5-one
CID 171760588
7,7-dideuterio-6-[[4-[7-(difluoromethoxy)-2-methylindazol-4-yl]-2,6-difluorophenyl]methyl]pyrrolo[3,4-b]pyridin-5-one
CID 171760290
7,7-dideuterio-6-[[2-fluoro-4-[7-fluoro-2-(trideuteriomethyl)indazol-4-yl]phenyl]methyl]pyrrolo[3,4-b]pyridin-5-one
CID 171760474
6-[[2-chloro-6-fluoro-4-(2-methylpyrazolo[3,4-b]pyridin-5-yl)phenyl]methyl]-7,7-dideuteriopyrrolo[3,4-b]pyridin-5-one
CID 171760265
7,7-dideuterio-6-[[2,6-dichloro-4-[2-(trideuteriomethyl)indazol-4-yl]phenyl]methyl]pyrrolo[3,4-b]pyridin-5-one
CID 171760391
6-[[2,6-difluoro-4-(3-methylbenzimidazol-5-yl)phenyl]methyl]-7H-pyrrolo[3,4-b]pyridin-5-one
CID 71555067
7,7-dideuterio-6-[[4-(2,7-dimethylindazol-5-yl)-2-fluorophenyl]methyl]pyrrolo[3,4-b]pyridin-5-one
CID 171760527
6-[(4-bromophenyl)methyl]-7,7-dideuteriopyrrolo[3,4-b]pyridin-5-one
CID 171760439
6-[[4-[7-(1-butylazetidin-3-yl)oxy-2-methylindazol-4-yl]-2,6-difluorophenyl]methyl]-7,7-dideuteriopyrrolo[3,4-b]pyridin-5-one
CID 171760555

Frequently Asked Questions

What is the IUPAC name of 7,7-dideuterio-6-[[2,6-difluoro-4-[2-(trideuteriomethyl)pyrazolo[1,5-a]pyridin-4-yl]phenyl]methyl]pyrrolo[3,4-b]pyridin-5-one?
The IUPAC name of 7,7-dideuterio-6-[[2,6-difluoro-4-[2-(trideuteriomethyl)pyrazolo[1,5-a]pyridin-4-yl]phenyl]methyl]pyrrolo[3,4-b]pyridin-5-one (CID 171760405) is 7,7-dideuterio-6-[[2,6-difluoro-4-[2-(trideuteriomethyl)pyrazolo[1,5-a]pyridin-4-yl]phenyl]methyl]pyrrolo[3,4-b]pyridin-5-one.
What is the SMILES notation for 7,7-dideuterio-6-[[2,6-difluoro-4-[2-(trideuteriomethyl)pyrazolo[1,5-a]pyridin-4-yl]phenyl]methyl]pyrrolo[3,4-b]pyridin-5-one?
The canonical SMILES for 7,7-dideuterio-6-[[2,6-difluoro-4-[2-(trideuteriomethyl)pyrazolo[1,5-a]pyridin-4-yl]phenyl]methyl]pyrrolo[3,4-b]pyridin-5-one is [2H]C([2H])([2H])c1cc2c(-c3cc(F)c(CN4C(=O)c5cccnc5C4([2H])[2H])c(F)c3)cccn2n1.
What is the InChIKey of 7,7-dideuterio-6-[[2,6-difluoro-4-[2-(trideuteriomethyl)pyrazolo[1,5-a]pyridin-4-yl]phenyl]methyl]pyrrolo[3,4-b]pyridin-5-one?
The InChIKey is MTCVUSDCBLJUSZ-JQKGTWBISA-N. The full InChI is InChI=1S/C22H16F2N4O/c1-13-8-21-15(5-3-7-28(21)26-13)14-9-18(23)17(19(24)10-14)11-27-12-20-16(22(27)29)4-2-6-25-20/h2-10H,11-12H2,1H3/i1D3,12D2.
What are the key properties of 7,7-dideuterio-6-[[2,6-difluoro-4-[2-(trideuteriomethyl)pyrazolo[1,5-a]pyridin-4-yl]phenyl]methyl]pyrrolo[3,4-b]pyridin-5-one?
7,7-dideuterio-6-[[2,6-difluoro-4-[2-(trideuteriomethyl)pyrazolo[1,5-a]pyridin-4-yl]phenyl]methyl]pyrrolo[3,4-b]pyridin-5-one has a molecular weight of 395.42 g/mol, XLogP of 4.14, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7,7-dideuterio-6-[[2,6-difluoro-4-[2-(trideuteriomethyl)pyrazolo[1,5-a]pyridin-4-yl]phenyl]methyl]pyrrolo[3,4-b]pyridin-5-one is sourced from PubChem (CID 171760405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).