4-[(6S)-6-[dideuterio(trideuteriomethoxy)methyl]-6-fluoro-2-(5-fluoro-2-pyridinyl)-5,7-dihydro-4H-pyrazolo[1,5-a]pyridin-3-yl]-6-methyl-1H-pyrazolo[3,4-b]pyridine

C21H20F2N6O — CID 169305961

IUPAC4-[(6S)-6-[dideuterio(trideuteriomethoxy)methyl]-6-fluoro-2-(5-fluoro-2-pyridinyl)-5,7-dihydro-4H-pyrazolo[1,5-a]pyridin-3-yl]-6-methyl-1H-pyrazolo[3,4-b]pyridine
SMILES[2H]C([2H])([2H])OC([2H])([2H])[C@]1(F)CCc2c(-c3cc(C)nc4[nH]ncc34)c(-c3ccc(F)cn3)nn2C1
InChIInChI=1S/C21H20F2N6O/c1-12-7-14(15-9-25-27-20(15)26-12)18-17-5-6-21(23,11-30-2)10-29(17)28-19(18)16-4-3-13(22)8-24-16/h3-4,7-9H,5-6,10-11H2,1-2H3,(H,25,26,27)/t21-/m0/s1/i2D3,11D2
InChIKeyVYHUZNXIALOOJR-UOGWVOPCSA-N
MW415.46 g/mol
LogP3.63
Rot. Bonds5

About 4-[(6S)-6-[dideuterio(trideuteriomethoxy)methyl]-6-fluoro-2-(5-fluoro-2-pyridinyl)-5,7-dihydro-4H-pyrazolo[1,5-a]pyridin-3-yl]-6-methyl-1H-pyrazolo[3,4-b]pyridine

4-[(6S)-6-[dideuterio(trideuteriomethoxy)methyl]-6-fluoro-2-(5-fluoro-2-pyridinyl)-5,7-dihydro-4H-pyrazolo[1,5-a]pyridin-3-yl]-6-methyl-1H-pyrazolo[3,4-b]pyridine (PubChem CID 169305961) has the molecular formula C21H20F2N6O and a molecular weight of 415.46 g/mol. Its IUPAC name is 4-[(6S)-6-[dideuterio(trideuteriomethoxy)methyl]-6-fluoro-2-(5-fluoro-2-pyridinyl)-5,7-dihydro-4H-pyrazolo[1,5-a]pyridin-3-yl]-6-methyl-1H-pyrazolo[3,4-b]pyridine.

Molecular Properties

Compound Name4-[(6S)-6-[dideuterio(trideuteriomethoxy)methyl]-6-fluoro-2-(5-fluoro-2-pyridinyl)-5,7-dihydro-4H-pyrazolo[1,5-a]pyridin-3-yl]-6-methyl-1H-pyrazolo[3,4-b]pyridine
PubChem CID169305961
Molecular FormulaC21H20F2N6O
Molecular Weight415.46 g/mol
Exact Mass415.20
IUPAC Name4-[(6S)-6-[dideuterio(trideuteriomethoxy)methyl]-6-fluoro-2-(5-fluoro-2-pyridinyl)-5,7-dihydro-4H-pyrazolo[1,5-a]pyridin-3-yl]-6-methyl-1H-pyrazolo[3,4-b]pyridine
SMILES[2H]C([2H])([2H])OC([2H])([2H])[C@]1(F)CCc2c(-c3cc(C)nc4[nH]ncc34)c(-c3ccc(F)cn3)nn2C1
InChIInChI=1S/C21H20F2N6O/c1-12-7-14(15-9-25-27-20(15)26-12)18-17-5-6-21(23,11-30-2)10-29(17)28-19(18)16-4-3-13(22)8-24-16/h3-4,7-9H,5-6,10-11H2,1-2H3,(H,25,26,27)/t21-/m0/s1/i2D3,11D2
InChIKeyVYHUZNXIALOOJR-UOGWVOPCSA-N
XLogP3.63
TPSA81.51 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.46
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4-[(6S)-6-[dideuterio(trideuteriomethoxy)methyl]-6-fluoro-2-(5-fluoro-2-pyridinyl)-5,7-dihydro-4H-pyrazolo[1,5-a]pyridin-3-yl]-6-methyl-1H-pyrazolo[3,4-b]pyridine with MolForge

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Related Compounds

4-[(6S)-2-(5-fluoro-2-pyridinyl)-6-(methoxymethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-yl]-6-methyl-1H-pyrazolo[3,4-b]pyridine
CID 169305894
4-[5-fluoro-2-(5-fluoro-2-pyridinyl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl]-6-methyl-1H-pyrazolo[3,4-b]pyridine
CID 162760724
5-fluoro-4-[(6R)-6-fluoro-2-(5-fluoro-2-pyridinyl)-6-(methoxymethyl)-5,7-dihydro-4H-pyrazolo[1,5-a]pyridin-3-yl]-6-methyl-1H-pyrazolo[3,4-b]pyridine
CID 169306189
(6S)-2-(5-fluoro-2-pyridinyl)-6-methyl-3-(6-methyl-1H-pyrazolo[3,4-b]pyridin-4-yl)-6-(trifluoromethyl)-4,7-dihydropyrazolo[5,1-c][1,4]oxazine
CID 169306013
4-[(6S)-6-(difluoromethoxymethyl)-6-fluoro-2-(5-fluoro-2-pyridinyl)-5,7-dihydro-4H-pyrazolo[1,5-a]pyridin-3-yl]-1H-pyrazolo[3,4-b]pyridine
CID 175448891
3-[6-(difluoromethyl)-1H-pyrazolo[5,4-b]pyridin-4-yl]-2-(5-fluoro-2-pyridinyl)-6,6-bis(trideuteriomethyl)-4,7-dihydropyrazolo[5,1-c][1,4]oxazine
CID 162760335
4,4-dideuterio-2-(5-fluoro-2-pyridinyl)-6,6-dimethyl-3-(1H-pyrazolo[3,4-b]pyridin-4-yl)-7H-pyrazolo[5,1-c][1,4]oxazine
CID 169305935
5-fluoro-4-[2-(5-fluoro-2-pyridinyl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl]-6-methyl-1H-pyrazolo[3,4-b]pyridine
CID 162760294
CID 174148933
CID 174148933
1',1'-difluoro-3-(5-fluoro-1H-pyrazolo[3,4-b]pyridin-4-yl)-2-(5-fluoro-2-pyridinyl)spiro[4,6-dihydropyrrolo[1,2-b]pyrazole-5,2'-cyclopropane]
CID 169001923
2-(4-fluorophenyl)-6-methyl-3-(6-methyl-1H-pyrazolo[3,4-b]pyridin-4-yl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine
CID 168867938
3-(2,5-difluoro-4-pyridinyl)-6-(fluoromethyl)-2-(5-fluoro-2-pyridinyl)-6-methyl-5,7-dihydro-4H-pyrazolo[1,5-a]pyridine
CID 162760667

Frequently Asked Questions

What is the IUPAC name of 4-[(6S)-6-[dideuterio(trideuteriomethoxy)methyl]-6-fluoro-2-(5-fluoro-2-pyridinyl)-5,7-dihydro-4H-pyrazolo[1,5-a]pyridin-3-yl]-6-methyl-1H-pyrazolo[3,4-b]pyridine?
The IUPAC name of 4-[(6S)-6-[dideuterio(trideuteriomethoxy)methyl]-6-fluoro-2-(5-fluoro-2-pyridinyl)-5,7-dihydro-4H-pyrazolo[1,5-a]pyridin-3-yl]-6-methyl-1H-pyrazolo[3,4-b]pyridine (CID 169305961) is 4-[(6S)-6-[dideuterio(trideuteriomethoxy)methyl]-6-fluoro-2-(5-fluoro-2-pyridinyl)-5,7-dihydro-4H-pyrazolo[1,5-a]pyridin-3-yl]-6-methyl-1H-pyrazolo[3,4-b]pyridine.
What is the SMILES notation for 4-[(6S)-6-[dideuterio(trideuteriomethoxy)methyl]-6-fluoro-2-(5-fluoro-2-pyridinyl)-5,7-dihydro-4H-pyrazolo[1,5-a]pyridin-3-yl]-6-methyl-1H-pyrazolo[3,4-b]pyridine?
The canonical SMILES for 4-[(6S)-6-[dideuterio(trideuteriomethoxy)methyl]-6-fluoro-2-(5-fluoro-2-pyridinyl)-5,7-dihydro-4H-pyrazolo[1,5-a]pyridin-3-yl]-6-methyl-1H-pyrazolo[3,4-b]pyridine is [2H]C([2H])([2H])OC([2H])([2H])[C@]1(F)CCc2c(-c3cc(C)nc4[nH]ncc34)c(-c3ccc(F)cn3)nn2C1.
What is the InChIKey of 4-[(6S)-6-[dideuterio(trideuteriomethoxy)methyl]-6-fluoro-2-(5-fluoro-2-pyridinyl)-5,7-dihydro-4H-pyrazolo[1,5-a]pyridin-3-yl]-6-methyl-1H-pyrazolo[3,4-b]pyridine?
The InChIKey is VYHUZNXIALOOJR-UOGWVOPCSA-N. The full InChI is InChI=1S/C21H20F2N6O/c1-12-7-14(15-9-25-27-20(15)26-12)18-17-5-6-21(23,11-30-2)10-29(17)28-19(18)16-4-3-13(22)8-24-16/h3-4,7-9H,5-6,10-11H2,1-2H3,(H,25,26,27)/t21-/m0/s1/i2D3,11D2.
What are the key properties of 4-[(6S)-6-[dideuterio(trideuteriomethoxy)methyl]-6-fluoro-2-(5-fluoro-2-pyridinyl)-5,7-dihydro-4H-pyrazolo[1,5-a]pyridin-3-yl]-6-methyl-1H-pyrazolo[3,4-b]pyridine?
4-[(6S)-6-[dideuterio(trideuteriomethoxy)methyl]-6-fluoro-2-(5-fluoro-2-pyridinyl)-5,7-dihydro-4H-pyrazolo[1,5-a]pyridin-3-yl]-6-methyl-1H-pyrazolo[3,4-b]pyridine has a molecular weight of 415.46 g/mol, XLogP of 3.63, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(6S)-6-[dideuterio(trideuteriomethoxy)methyl]-6-fluoro-2-(5-fluoro-2-pyridinyl)-5,7-dihydro-4H-pyrazolo[1,5-a]pyridin-3-yl]-6-methyl-1H-pyrazolo[3,4-b]pyridine is sourced from PubChem (CID 169305961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).