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

C21H19F3N6O — CID 169306189

IUPAC5-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
SMILESCOC[C@@]1(F)CCc2c(-c3c(F)c(C)nc4[nH]ncc34)c(-c3ccc(F)cn3)nn2C1
InChIInChI=1S/C21H19F3N6O/c1-11-18(23)16(13-8-26-28-20(13)27-11)17-15-5-6-21(24,10-31-2)9-30(15)29-19(17)14-4-3-12(22)7-25-14/h3-4,7-8H,5-6,9-10H2,1-2H3,(H,26,27,28)/t21-/m1/s1
InChIKeyIEOPXCYCFVTJSJ-OAQYLSRUSA-N
MW428.42 g/mol
LogP3.77
Rot. Bonds4

About 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

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 (PubChem CID 169306189) has the molecular formula C21H19F3N6O and a molecular weight of 428.42 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name5-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
PubChem CID169306189
Molecular FormulaC21H19F3N6O
Molecular Weight428.42 g/mol
Exact Mass428.16
IUPAC Name5-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
SMILESCOC[C@@]1(F)CCc2c(-c3c(F)c(C)nc4[nH]ncc34)c(-c3ccc(F)cn3)nn2C1
InChIInChI=1S/C21H19F3N6O/c1-11-18(23)16(13-8-26-28-20(13)27-11)17-15-5-6-21(24,10-31-2)9-30(15)29-19(17)14-4-3-12(22)7-25-14/h3-4,7-8H,5-6,9-10H2,1-2H3,(H,26,27,28)/t21-/m1/s1
InChIKeyIEOPXCYCFVTJSJ-OAQYLSRUSA-N
XLogP3.77
TPSA81.51 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.42
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is COC[C@@]1(F)CCc2c(-c3c(F)c(C)nc4[nH]ncc34)c(-c3ccc(F)cn3)nn2C1.
What is the InChIKey of 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?
The InChIKey is IEOPXCYCFVTJSJ-OAQYLSRUSA-N. The full InChI is InChI=1S/C21H19F3N6O/c1-11-18(23)16(13-8-26-28-20(13)27-11)17-15-5-6-21(24,10-31-2)9-30(15)29-19(17)14-4-3-12(22)7-25-14/h3-4,7-8H,5-6,9-10H2,1-2H3,(H,26,27,28)/t21-/m1/s1.
What are the key properties of 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?
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 has a molecular weight of 428.42 g/mol, XLogP of 3.77, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 169306189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).