4-[2-(4-fluorophenyl)-5,5-bis(trideuteriomethyl)-4,6-dihydropyrrolo[1,2-b]pyrazol-3-yl]-1H-pyrazolo[3,4-b]pyridine

C20H18FN5 — CID 162760469

IUPAC4-[2-(4-fluorophenyl)-5,5-bis(trideuteriomethyl)-4,6-dihydropyrrolo[1,2-b]pyrazol-3-yl]-1H-pyrazolo[3,4-b]pyridine
SMILES[2H]C([2H])([2H])C1(C([2H])([2H])[2H])Cc2c(-c3ccnc4[nH]ncc34)c(-c3ccc(F)cc3)nn2C1
InChIInChI=1S/C20H18FN5/c1-20(2)9-16-17(14-7-8-22-19-15(14)10-23-24-19)18(25-26(16)11-20)12-3-5-13(21)6-4-12/h3-8,10H,9,11H2,1-2H3,(H,22,23,24)/i1D3,2D3
InChIKeyHDJPCYQCZHXCFS-WFGJKAKNSA-N
MW353.43 g/mol
LogP4.21
Rot. Bonds4

About 4-[2-(4-fluorophenyl)-5,5-bis(trideuteriomethyl)-4,6-dihydropyrrolo[1,2-b]pyrazol-3-yl]-1H-pyrazolo[3,4-b]pyridine

4-[2-(4-fluorophenyl)-5,5-bis(trideuteriomethyl)-4,6-dihydropyrrolo[1,2-b]pyrazol-3-yl]-1H-pyrazolo[3,4-b]pyridine (PubChem CID 162760469) has the molecular formula C20H18FN5 and a molecular weight of 353.43 g/mol. Its IUPAC name is 4-[2-(4-fluorophenyl)-5,5-bis(trideuteriomethyl)-4,6-dihydropyrrolo[1,2-b]pyrazol-3-yl]-1H-pyrazolo[3,4-b]pyridine.

Molecular Properties

Compound Name4-[2-(4-fluorophenyl)-5,5-bis(trideuteriomethyl)-4,6-dihydropyrrolo[1,2-b]pyrazol-3-yl]-1H-pyrazolo[3,4-b]pyridine
PubChem CID162760469
Molecular FormulaC20H18FN5
Molecular Weight353.43 g/mol
Exact Mass353.19
IUPAC Name4-[2-(4-fluorophenyl)-5,5-bis(trideuteriomethyl)-4,6-dihydropyrrolo[1,2-b]pyrazol-3-yl]-1H-pyrazolo[3,4-b]pyridine
SMILES[2H]C([2H])([2H])C1(C([2H])([2H])[2H])Cc2c(-c3ccnc4[nH]ncc34)c(-c3ccc(F)cc3)nn2C1
InChIInChI=1S/C20H18FN5/c1-20(2)9-16-17(14-7-8-22-19-15(14)10-23-24-19)18(25-26(16)11-20)12-3-5-13(21)6-4-12/h3-8,10H,9,11H2,1-2H3,(H,22,23,24)/i1D3,2D3
InChIKeyHDJPCYQCZHXCFS-WFGJKAKNSA-N
XLogP4.21
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.43
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[2-(4-fluorophenyl)-5,5-dimethyl-4,6-dihydropyrrolo[1,2-b]pyrazol-3-yl]-1H-pyrazolo[3,4-b]pyridine
CID 162760320
(6R)-6-(fluoromethyl)-2-(4-fluorophenyl)-3-(1H-pyrazolo[3,4-b]pyridin-4-yl)-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine
CID 169305874
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
2-(4-fluorophenyl)-6-methyl-3-(1H-pyrazolo[3,4-b]pyridin-4-yl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine
CID 168867959
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
CID 174148933
CID 174148933
2-(3-chloro-4-pyridinyl)-6,6-dimethyl-3-(1H-pyrazolo[3,4-b]pyridin-4-yl)-4,7-dihydropyrazolo[5,1-c][1,4]oxazine
CID 162760042
3-bromo-5,5-bis(deuteriomethyl)-2-(4-fluorophenyl)-4,6-dihydropyrrolo[1,2-b]pyrazole
CID 175892955
(7R)-2-(5-fluoro-2-pyridinyl)-6,6,7-trimethyl-3-(1H-pyrazolo[3,4-b]pyridin-4-yl)-4,7-dihydropyrazolo[5,1-c][1,4]oxazine
CID 169305964
4-[2-(3,5-difluoro-2-pyridinyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-yl]-1H-pyrazolo[3,4-b]pyridine
CID 162760287
6-cyclopropyl-2-(5-fluoro-2-pyridinyl)-3-(1H-pyrazolo[3,4-b]pyridin-4-yl)-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine
CID 169001904
(6R,7R)-2-(5-fluoro-2-pyridinyl)-6,7-dimethyl-3-(1H-pyrazolo[3,4-b]pyridin-4-yl)-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine
CID 169306005

Frequently Asked Questions

What is the IUPAC name of 4-[2-(4-fluorophenyl)-5,5-bis(trideuteriomethyl)-4,6-dihydropyrrolo[1,2-b]pyrazol-3-yl]-1H-pyrazolo[3,4-b]pyridine?
The IUPAC name of 4-[2-(4-fluorophenyl)-5,5-bis(trideuteriomethyl)-4,6-dihydropyrrolo[1,2-b]pyrazol-3-yl]-1H-pyrazolo[3,4-b]pyridine (CID 162760469) is 4-[2-(4-fluorophenyl)-5,5-bis(trideuteriomethyl)-4,6-dihydropyrrolo[1,2-b]pyrazol-3-yl]-1H-pyrazolo[3,4-b]pyridine.
What is the SMILES notation for 4-[2-(4-fluorophenyl)-5,5-bis(trideuteriomethyl)-4,6-dihydropyrrolo[1,2-b]pyrazol-3-yl]-1H-pyrazolo[3,4-b]pyridine?
The canonical SMILES for 4-[2-(4-fluorophenyl)-5,5-bis(trideuteriomethyl)-4,6-dihydropyrrolo[1,2-b]pyrazol-3-yl]-1H-pyrazolo[3,4-b]pyridine is [2H]C([2H])([2H])C1(C([2H])([2H])[2H])Cc2c(-c3ccnc4[nH]ncc34)c(-c3ccc(F)cc3)nn2C1.
What is the InChIKey of 4-[2-(4-fluorophenyl)-5,5-bis(trideuteriomethyl)-4,6-dihydropyrrolo[1,2-b]pyrazol-3-yl]-1H-pyrazolo[3,4-b]pyridine?
The InChIKey is HDJPCYQCZHXCFS-WFGJKAKNSA-N. The full InChI is InChI=1S/C20H18FN5/c1-20(2)9-16-17(14-7-8-22-19-15(14)10-23-24-19)18(25-26(16)11-20)12-3-5-13(21)6-4-12/h3-8,10H,9,11H2,1-2H3,(H,22,23,24)/i1D3,2D3.
What are the key properties of 4-[2-(4-fluorophenyl)-5,5-bis(trideuteriomethyl)-4,6-dihydropyrrolo[1,2-b]pyrazol-3-yl]-1H-pyrazolo[3,4-b]pyridine?
4-[2-(4-fluorophenyl)-5,5-bis(trideuteriomethyl)-4,6-dihydropyrrolo[1,2-b]pyrazol-3-yl]-1H-pyrazolo[3,4-b]pyridine has a molecular weight of 353.43 g/mol, XLogP of 4.21, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(4-fluorophenyl)-5,5-bis(trideuteriomethyl)-4,6-dihydropyrrolo[1,2-b]pyrazol-3-yl]-1H-pyrazolo[3,4-b]pyridine is sourced from PubChem (CID 162760469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).