4-[(1-fluorocyclobutyl)methoxy]-6-[6-(4-methoxy-3-pyridinyl)-4-methylpyrazolo[4,3-c]pyridin-1-yl]-1,2-dimethylimidazo[4,5-c]pyridine

C26H26FN7O2 — CID 164514179

IUPAC4-[(1-fluorocyclobutyl)methoxy]-6-[6-(4-methoxy-3-pyridinyl)-4-methylpyrazolo[4,3-c]pyridin-1-yl]-1,2-dimethylimidazo[4,5-c]pyridine
SMILESCOc1ccncc1-c1cc2c(cnn2-c2cc3c(nc(C)n3C)c(OCC3(F)CCC3)n2)c(C)n1
InChIInChI=1S/C26H26FN7O2/c1-15-17-13-29-34(20(17)10-19(30-15)18-12-28-9-6-22(18)35-4)23-11-21-24(31-16(2)33(21)3)25(32-23)36-14-26(27)7-5-8-26/h6,9-13H,5,7-8,14H2,1-4H3
InChIKeyAEBGOMUIIKIMHL-UHFFFAOYSA-N
MW487.54 g/mol
LogP4.66
Rot. Bonds6

About 4-[(1-fluorocyclobutyl)methoxy]-6-[6-(4-methoxy-3-pyridinyl)-4-methylpyrazolo[4,3-c]pyridin-1-yl]-1,2-dimethylimidazo[4,5-c]pyridine

4-[(1-fluorocyclobutyl)methoxy]-6-[6-(4-methoxy-3-pyridinyl)-4-methylpyrazolo[4,3-c]pyridin-1-yl]-1,2-dimethylimidazo[4,5-c]pyridine (PubChem CID 164514179) has the molecular formula C26H26FN7O2 and a molecular weight of 487.54 g/mol. Its IUPAC name is 4-[(1-fluorocyclobutyl)methoxy]-6-[6-(4-methoxy-3-pyridinyl)-4-methylpyrazolo[4,3-c]pyridin-1-yl]-1,2-dimethylimidazo[4,5-c]pyridine.

Molecular Properties

Compound Name4-[(1-fluorocyclobutyl)methoxy]-6-[6-(4-methoxy-3-pyridinyl)-4-methylpyrazolo[4,3-c]pyridin-1-yl]-1,2-dimethylimidazo[4,5-c]pyridine
PubChem CID164514179
Molecular FormulaC26H26FN7O2
Molecular Weight487.54 g/mol
Exact Mass487.21
IUPAC Name4-[(1-fluorocyclobutyl)methoxy]-6-[6-(4-methoxy-3-pyridinyl)-4-methylpyrazolo[4,3-c]pyridin-1-yl]-1,2-dimethylimidazo[4,5-c]pyridine
SMILESCOc1ccncc1-c1cc2c(cnn2-c2cc3c(nc(C)n3C)c(OCC3(F)CCC3)n2)c(C)n1
InChIInChI=1S/C26H26FN7O2/c1-15-17-13-29-34(20(17)10-19(30-15)18-12-28-9-6-22(18)35-4)23-11-21-24(31-16(2)33(21)3)25(32-23)36-14-26(27)7-5-8-26/h6,9-13H,5,7-8,14H2,1-4H3
InChIKeyAEBGOMUIIKIMHL-UHFFFAOYSA-N
XLogP4.66
TPSA92.77 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.54
LogP ≤ 54.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 4-[(1-fluorocyclobutyl)methoxy]-6-[6-(4-methoxy-3-pyridinyl)-4-methylpyrazolo[4,3-c]pyridin-1-yl]-1,2-dimethylimidazo[4,5-c]pyridine?
The IUPAC name of 4-[(1-fluorocyclobutyl)methoxy]-6-[6-(4-methoxy-3-pyridinyl)-4-methylpyrazolo[4,3-c]pyridin-1-yl]-1,2-dimethylimidazo[4,5-c]pyridine (CID 164514179) is 4-[(1-fluorocyclobutyl)methoxy]-6-[6-(4-methoxy-3-pyridinyl)-4-methylpyrazolo[4,3-c]pyridin-1-yl]-1,2-dimethylimidazo[4,5-c]pyridine.
What is the SMILES notation for 4-[(1-fluorocyclobutyl)methoxy]-6-[6-(4-methoxy-3-pyridinyl)-4-methylpyrazolo[4,3-c]pyridin-1-yl]-1,2-dimethylimidazo[4,5-c]pyridine?
The canonical SMILES for 4-[(1-fluorocyclobutyl)methoxy]-6-[6-(4-methoxy-3-pyridinyl)-4-methylpyrazolo[4,3-c]pyridin-1-yl]-1,2-dimethylimidazo[4,5-c]pyridine is COc1ccncc1-c1cc2c(cnn2-c2cc3c(nc(C)n3C)c(OCC3(F)CCC3)n2)c(C)n1.
What is the InChIKey of 4-[(1-fluorocyclobutyl)methoxy]-6-[6-(4-methoxy-3-pyridinyl)-4-methylpyrazolo[4,3-c]pyridin-1-yl]-1,2-dimethylimidazo[4,5-c]pyridine?
The InChIKey is AEBGOMUIIKIMHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26FN7O2/c1-15-17-13-29-34(20(17)10-19(30-15)18-12-28-9-6-22(18)35-4)23-11-21-24(31-16(2)33(21)3)25(32-23)36-14-26(27)7-5-8-26/h6,9-13H,5,7-8,14H2,1-4H3.
What are the key properties of 4-[(1-fluorocyclobutyl)methoxy]-6-[6-(4-methoxy-3-pyridinyl)-4-methylpyrazolo[4,3-c]pyridin-1-yl]-1,2-dimethylimidazo[4,5-c]pyridine?
4-[(1-fluorocyclobutyl)methoxy]-6-[6-(4-methoxy-3-pyridinyl)-4-methylpyrazolo[4,3-c]pyridin-1-yl]-1,2-dimethylimidazo[4,5-c]pyridine has a molecular weight of 487.54 g/mol, XLogP of 4.66, 6 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1-fluorocyclobutyl)methoxy]-6-[6-(4-methoxy-3-pyridinyl)-4-methylpyrazolo[4,3-c]pyridin-1-yl]-1,2-dimethylimidazo[4,5-c]pyridine is sourced from PubChem (CID 164514179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).