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

C21H21FN6O — CID 169305894

IUPAC4-[(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
SMILESCOC[C@H]1CCc2c(-c3cc(C)nc4[nH]ncc34)c(-c3ccc(F)cn3)nn2C1
InChIInChI=1S/C21H21FN6O/c1-12-7-15(16-9-24-26-21(16)25-12)19-18-6-3-13(11-29-2)10-28(18)27-20(19)17-5-4-14(22)8-23-17/h4-5,7-9,13H,3,6,10-11H2,1-2H3,(H,24,25,26)/t13-/m0/s1
InChIKeyOFKCYFHOZNRFBE-ZDUSSCGKSA-N
MW392.44 g/mol
LogP3.54
Rot. Bonds4

About 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

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 (PubChem CID 169305894) has the molecular formula C21H21FN6O and a molecular weight of 392.44 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name4-[(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
PubChem CID169305894
Molecular FormulaC21H21FN6O
Molecular Weight392.44 g/mol
Exact Mass392.18
IUPAC Name4-[(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
SMILESCOC[C@H]1CCc2c(-c3cc(C)nc4[nH]ncc34)c(-c3ccc(F)cn3)nn2C1
InChIInChI=1S/C21H21FN6O/c1-12-7-15(16-9-24-26-21(16)25-12)19-18-6-3-13(11-29-2)10-28(18)27-20(19)17-5-4-14(22)8-23-17/h4-5,7-9,13H,3,6,10-11H2,1-2H3,(H,24,25,26)/t13-/m0/s1
InChIKeyOFKCYFHOZNRFBE-ZDUSSCGKSA-N
XLogP3.54
TPSA81.51 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.44
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 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 with MolForge

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Related Compounds

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
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
(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
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
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
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
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
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
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
2-(4-fluorophenyl)-7-methyl-3-(6-methyl-1H-pyrazolo[3,4-b]pyridin-4-yl)-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine
CID 169001953
(7S)-2-(4-fluorophenyl)-7-methyl-3-(6-methyl-1H-pyrazolo[3,4-b]pyridin-4-yl)-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine
CID 169306075
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

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is COC[C@H]1CCc2c(-c3cc(C)nc4[nH]ncc34)c(-c3ccc(F)cn3)nn2C1.
What is the InChIKey of 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?
The InChIKey is OFKCYFHOZNRFBE-ZDUSSCGKSA-N. The full InChI is InChI=1S/C21H21FN6O/c1-12-7-15(16-9-24-26-21(16)25-12)19-18-6-3-13(11-29-2)10-28(18)27-20(19)17-5-4-14(22)8-23-17/h4-5,7-9,13H,3,6,10-11H2,1-2H3,(H,24,25,26)/t13-/m0/s1.
What are the key properties of 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?
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 has a molecular weight of 392.44 g/mol, XLogP of 3.54, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 169305894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).