2-[[7-fluoro-6-(7-hydroxy-6,7-dihydro-5H-cyclopenta[c]pyridin-4-yl)isoquinolin-3-yl]amino]-6-methyl-5,8-dihydro-4H-pyrazolo[1,5-d][1,4]diazepin-7-one

C25H23FN6O2 — CID 157067086

IUPAC2-[[7-fluoro-6-(7-hydroxy-6,7-dihydro-5H-cyclopenta[c]pyridin-4-yl)isoquinolin-3-yl]amino]-6-methyl-5,8-dihydro-4H-pyrazolo[1,5-d][1,4]diazepin-7-one
SMILESCN1CCc2cc(Nc3cc4cc(-c5cncc6c5CCC6O)c(F)cc4cn3)nn2CC1=O
InChIInChI=1S/C25H23FN6O2/c1-31-5-4-16-9-24(30-32(16)13-25(31)34)29-23-8-14-6-18(21(26)7-15(14)10-28-23)19-11-27-12-20-17(19)2-3-22(20)33/h6-12,22,33H,2-5,13H2,1H3,(H,28,29,30)
InChIKeyABZSIKHHPRQDLC-UHFFFAOYSA-N
MW458.50 g/mol
LogP3.37
Rot. Bonds3

About 2-[[7-fluoro-6-(7-hydroxy-6,7-dihydro-5H-cyclopenta[c]pyridin-4-yl)isoquinolin-3-yl]amino]-6-methyl-5,8-dihydro-4H-pyrazolo[1,5-d][1,4]diazepin-7-one

2-[[7-fluoro-6-(7-hydroxy-6,7-dihydro-5H-cyclopenta[c]pyridin-4-yl)isoquinolin-3-yl]amino]-6-methyl-5,8-dihydro-4H-pyrazolo[1,5-d][1,4]diazepin-7-one (PubChem CID 157067086) has the molecular formula C25H23FN6O2 and a molecular weight of 458.50 g/mol. Its IUPAC name is 2-[[7-fluoro-6-(7-hydroxy-6,7-dihydro-5H-cyclopenta[c]pyridin-4-yl)isoquinolin-3-yl]amino]-6-methyl-5,8-dihydro-4H-pyrazolo[1,5-d][1,4]diazepin-7-one.

Molecular Properties

Compound Name2-[[7-fluoro-6-(7-hydroxy-6,7-dihydro-5H-cyclopenta[c]pyridin-4-yl)isoquinolin-3-yl]amino]-6-methyl-5,8-dihydro-4H-pyrazolo[1,5-d][1,4]diazepin-7-one
PubChem CID157067086
Molecular FormulaC25H23FN6O2
Molecular Weight458.50 g/mol
Exact Mass458.19
IUPAC Name2-[[7-fluoro-6-(7-hydroxy-6,7-dihydro-5H-cyclopenta[c]pyridin-4-yl)isoquinolin-3-yl]amino]-6-methyl-5,8-dihydro-4H-pyrazolo[1,5-d][1,4]diazepin-7-one
SMILESCN1CCc2cc(Nc3cc4cc(-c5cncc6c5CCC6O)c(F)cc4cn3)nn2CC1=O
InChIInChI=1S/C25H23FN6O2/c1-31-5-4-16-9-24(30-32(16)13-25(31)34)29-23-8-14-6-18(21(26)7-15(14)10-28-23)19-11-27-12-20-17(19)2-3-22(20)33/h6-12,22,33H,2-5,13H2,1H3,(H,28,29,30)
InChIKeyABZSIKHHPRQDLC-UHFFFAOYSA-N
XLogP3.37
TPSA96.17 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.50
LogP ≤ 53.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 2-[[7-fluoro-6-(7-hydroxy-6,7-dihydro-5H-cyclopenta[c]pyridin-4-yl)isoquinolin-3-yl]amino]-6-methyl-5,8-dihydro-4H-pyrazolo[1,5-d][1,4]diazepin-7-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[[7-fluoro-6-(7-hydroxy-6,7-dihydro-5H-cyclopenta[c]pyridin-4-yl)isoquinolin-3-yl]amino]-6-methyl-5,8-dihydro-4H-pyrazolo[1,5-d][1,4]diazepin-7-one?
The IUPAC name of 2-[[7-fluoro-6-(7-hydroxy-6,7-dihydro-5H-cyclopenta[c]pyridin-4-yl)isoquinolin-3-yl]amino]-6-methyl-5,8-dihydro-4H-pyrazolo[1,5-d][1,4]diazepin-7-one (CID 157067086) is 2-[[7-fluoro-6-(7-hydroxy-6,7-dihydro-5H-cyclopenta[c]pyridin-4-yl)isoquinolin-3-yl]amino]-6-methyl-5,8-dihydro-4H-pyrazolo[1,5-d][1,4]diazepin-7-one.
What is the SMILES notation for 2-[[7-fluoro-6-(7-hydroxy-6,7-dihydro-5H-cyclopenta[c]pyridin-4-yl)isoquinolin-3-yl]amino]-6-methyl-5,8-dihydro-4H-pyrazolo[1,5-d][1,4]diazepin-7-one?
The canonical SMILES for 2-[[7-fluoro-6-(7-hydroxy-6,7-dihydro-5H-cyclopenta[c]pyridin-4-yl)isoquinolin-3-yl]amino]-6-methyl-5,8-dihydro-4H-pyrazolo[1,5-d][1,4]diazepin-7-one is CN1CCc2cc(Nc3cc4cc(-c5cncc6c5CCC6O)c(F)cc4cn3)nn2CC1=O.
What is the InChIKey of 2-[[7-fluoro-6-(7-hydroxy-6,7-dihydro-5H-cyclopenta[c]pyridin-4-yl)isoquinolin-3-yl]amino]-6-methyl-5,8-dihydro-4H-pyrazolo[1,5-d][1,4]diazepin-7-one?
The InChIKey is ABZSIKHHPRQDLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23FN6O2/c1-31-5-4-16-9-24(30-32(16)13-25(31)34)29-23-8-14-6-18(21(26)7-15(14)10-28-23)19-11-27-12-20-17(19)2-3-22(20)33/h6-12,22,33H,2-5,13H2,1H3,(H,28,29,30).
What are the key properties of 2-[[7-fluoro-6-(7-hydroxy-6,7-dihydro-5H-cyclopenta[c]pyridin-4-yl)isoquinolin-3-yl]amino]-6-methyl-5,8-dihydro-4H-pyrazolo[1,5-d][1,4]diazepin-7-one?
2-[[7-fluoro-6-(7-hydroxy-6,7-dihydro-5H-cyclopenta[c]pyridin-4-yl)isoquinolin-3-yl]amino]-6-methyl-5,8-dihydro-4H-pyrazolo[1,5-d][1,4]diazepin-7-one has a molecular weight of 458.50 g/mol, XLogP of 3.37, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[7-fluoro-6-(7-hydroxy-6,7-dihydro-5H-cyclopenta[c]pyridin-4-yl)isoquinolin-3-yl]amino]-6-methyl-5,8-dihydro-4H-pyrazolo[1,5-d][1,4]diazepin-7-one is sourced from PubChem (CID 157067086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).