1-[3-[3-(3-fluoropyrrolidin-1-yl)isoquinolin-8-yl]-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone

C26H30FN5O2 — CID 139382540

IUPAC1-[3-[3-(3-fluoropyrrolidin-1-yl)isoquinolin-8-yl]-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone
SMILESCC(=O)N1CCc2c(c(-c3cccc4cc(N5CCC(F)C5)ncc34)nn2C2CCOCC2)C1
InChIInChI=1S/C26H30FN5O2/c1-17(33)30-10-6-24-23(16-30)26(29-32(24)20-7-11-34-12-8-20)21-4-2-3-18-13-25(28-14-22(18)21)31-9-5-19(27)15-31/h2-4,13-14,19-20H,5-12,15-16H2,1H3
InChIKeyIJQIFRICNILZBP-UHFFFAOYSA-N
MW463.56 g/mol
LogP3.90
Rot. Bonds3

About 1-[3-[3-(3-fluoropyrrolidin-1-yl)isoquinolin-8-yl]-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone

1-[3-[3-(3-fluoropyrrolidin-1-yl)isoquinolin-8-yl]-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone (PubChem CID 139382540) has the molecular formula C26H30FN5O2 and a molecular weight of 463.56 g/mol. Its IUPAC name is 1-[3-[3-(3-fluoropyrrolidin-1-yl)isoquinolin-8-yl]-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone.

Molecular Properties

Compound Name1-[3-[3-(3-fluoropyrrolidin-1-yl)isoquinolin-8-yl]-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone
PubChem CID139382540
Molecular FormulaC26H30FN5O2
Molecular Weight463.56 g/mol
Exact Mass463.24
IUPAC Name1-[3-[3-(3-fluoropyrrolidin-1-yl)isoquinolin-8-yl]-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone
SMILESCC(=O)N1CCc2c(c(-c3cccc4cc(N5CCC(F)C5)ncc34)nn2C2CCOCC2)C1
InChIInChI=1S/C26H30FN5O2/c1-17(33)30-10-6-24-23(16-30)26(29-32(24)20-7-11-34-12-8-20)21-4-2-3-18-13-25(28-14-22(18)21)31-9-5-19(27)15-31/h2-4,13-14,19-20H,5-12,15-16H2,1H3
InChIKeyIJQIFRICNILZBP-UHFFFAOYSA-N
XLogP3.90
TPSA63.49 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.56
LogP ≤ 53.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 1-[3-[3-(3-fluoropyrrolidin-1-yl)isoquinolin-8-yl]-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[3-[3-(3-fluoropyrrolidin-1-yl)isoquinolin-8-yl]-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone?
The IUPAC name of 1-[3-[3-(3-fluoropyrrolidin-1-yl)isoquinolin-8-yl]-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone (CID 139382540) is 1-[3-[3-(3-fluoropyrrolidin-1-yl)isoquinolin-8-yl]-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone.
What is the SMILES notation for 1-[3-[3-(3-fluoropyrrolidin-1-yl)isoquinolin-8-yl]-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone?
The canonical SMILES for 1-[3-[3-(3-fluoropyrrolidin-1-yl)isoquinolin-8-yl]-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone is CC(=O)N1CCc2c(c(-c3cccc4cc(N5CCC(F)C5)ncc34)nn2C2CCOCC2)C1.
What is the InChIKey of 1-[3-[3-(3-fluoropyrrolidin-1-yl)isoquinolin-8-yl]-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone?
The InChIKey is IJQIFRICNILZBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30FN5O2/c1-17(33)30-10-6-24-23(16-30)26(29-32(24)20-7-11-34-12-8-20)21-4-2-3-18-13-25(28-14-22(18)21)31-9-5-19(27)15-31/h2-4,13-14,19-20H,5-12,15-16H2,1H3.
What are the key properties of 1-[3-[3-(3-fluoropyrrolidin-1-yl)isoquinolin-8-yl]-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone?
1-[3-[3-(3-fluoropyrrolidin-1-yl)isoquinolin-8-yl]-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone has a molecular weight of 463.56 g/mol, XLogP of 3.90, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[3-(3-fluoropyrrolidin-1-yl)isoquinolin-8-yl]-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone is sourced from PubChem (CID 139382540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).