2-[[7-fluoro-6-(4-methyl-8-oxo-6,7-dihydro-5H-1,5-naphthyridin-3-yl)isoquinolin-3-yl]amino]-4,5,6,8-tetrahydropyrazolo[1,5-d][1,4]diazepin-7-one

C25H22FN7O2 — CID 159196921

IUPAC2-[[7-fluoro-6-(4-methyl-8-oxo-6,7-dihydro-5H-1,5-naphthyridin-3-yl)isoquinolin-3-yl]amino]-4,5,6,8-tetrahydropyrazolo[1,5-d][1,4]diazepin-7-one
SMILESCc1c(-c2cc3cc(Nc4cc5n(n4)CC(=O)NCC5)ncc3cc2F)cnc2c1NCCC2=O
InChIInChI=1S/C25H22FN7O2/c1-13-18(11-30-25-20(34)3-5-28-24(13)25)17-6-14-8-21(29-10-15(14)7-19(17)26)31-22-9-16-2-4-27-23(35)12-33(16)32-22/h6-11,28H,2-5,12H2,1H3,(H,27,35)(H,29,31,32)
InChIKeyKOTVWXFMUKQXLA-UHFFFAOYSA-N
MW471.50 g/mol
LogP3.36
Rot. Bonds3

About 2-[[7-fluoro-6-(4-methyl-8-oxo-6,7-dihydro-5H-1,5-naphthyridin-3-yl)isoquinolin-3-yl]amino]-4,5,6,8-tetrahydropyrazolo[1,5-d][1,4]diazepin-7-one

2-[[7-fluoro-6-(4-methyl-8-oxo-6,7-dihydro-5H-1,5-naphthyridin-3-yl)isoquinolin-3-yl]amino]-4,5,6,8-tetrahydropyrazolo[1,5-d][1,4]diazepin-7-one (PubChem CID 159196921) has the molecular formula C25H22FN7O2 and a molecular weight of 471.50 g/mol. Its IUPAC name is 2-[[7-fluoro-6-(4-methyl-8-oxo-6,7-dihydro-5H-1,5-naphthyridin-3-yl)isoquinolin-3-yl]amino]-4,5,6,8-tetrahydropyrazolo[1,5-d][1,4]diazepin-7-one.

Molecular Properties

Compound Name2-[[7-fluoro-6-(4-methyl-8-oxo-6,7-dihydro-5H-1,5-naphthyridin-3-yl)isoquinolin-3-yl]amino]-4,5,6,8-tetrahydropyrazolo[1,5-d][1,4]diazepin-7-one
PubChem CID159196921
Molecular FormulaC25H22FN7O2
Molecular Weight471.50 g/mol
Exact Mass471.18
IUPAC Name2-[[7-fluoro-6-(4-methyl-8-oxo-6,7-dihydro-5H-1,5-naphthyridin-3-yl)isoquinolin-3-yl]amino]-4,5,6,8-tetrahydropyrazolo[1,5-d][1,4]diazepin-7-one
SMILESCc1c(-c2cc3cc(Nc4cc5n(n4)CC(=O)NCC5)ncc3cc2F)cnc2c1NCCC2=O
InChIInChI=1S/C25H22FN7O2/c1-13-18(11-30-25-20(34)3-5-28-24(13)25)17-6-14-8-21(29-10-15(14)7-19(17)26)31-22-9-16-2-4-27-23(35)12-33(16)32-22/h6-11,28H,2-5,12H2,1H3,(H,27,35)(H,29,31,32)
InChIKeyKOTVWXFMUKQXLA-UHFFFAOYSA-N
XLogP3.36
TPSA113.83 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.50
LogP ≤ 53.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze 2-[[7-fluoro-6-(4-methyl-8-oxo-6,7-dihydro-5H-1,5-naphthyridin-3-yl)isoquinolin-3-yl]amino]-4,5,6,8-tetrahydropyrazolo[1,5-d][1,4]diazepin-7-one with MolForge

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Launch Full Analysis

Related Compounds

2-[[6-(3,3-difluoro-8-methyl-1,2-dihydropyrido[2,3-b][1,4]oxazin-7-yl)-7-fluoroisoquinolin-3-yl]amino]-4,5,6,8-tetrahydropyrazolo[1,5-d][1,4]diazepin-7-one
CID 146310283
2-[[6-(5-amino-4-methyl-3-pyridinyl)-7-fluoroisoquinolin-3-yl]amino]-4,5,6,8-tetrahydropyrazolo[1,5-d][1,4]diazepin-7-one
CID 146310247
2-[[8-amino-7-fluoro-6-(7-methyl-2-oxo-1,3-dihydropyrrolo[3,2-b]pyridin-6-yl)isoquinolin-3-yl]amino]-4,5,6,8-tetrahydropyrazolo[1,5-d][1,4]diazepin-7-one
CID 135342832
2-[[7-fluoro-6-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)isoquinolin-3-yl]amino]-6-methyl-4,8-dihydropyrazolo[1,5-e][1,2,5]oxadiazepin-7-one
CID 160913417
2-[[8-amino-7-fluoro-6-(7-methyl-2,2-dioxo-1,3-dihydro-[1,2]thiazolo[4,3-b]pyridin-6-yl)isoquinolin-3-yl]amino]-4,5,6,8-tetrahydropyrazolo[1,5-d][1,4]diazepin-7-one
CID 135343345
2-[[8-amino-6-(2,7-dimethyl-3-methylidene-1H-pyrazolo[4,3-b]pyridin-6-yl)-2,7-naphthyridin-3-yl]amino]-4,5,6,8-tetrahydropyrazolo[1,5-d][1,4]diazepin-7-one
CID 158341777
N-[5-[8-amino-7-fluoro-3-[(7-oxo-4,5,6,8-tetrahydropyrazolo[1,5-d][1,4]diazepin-2-yl)amino]isoquinolin-6-yl]-4-methyl-3-pyridinyl]methanesulfonamide
CID 135343683
2-[[7-fluoro-6-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)isoquinolin-3-yl]amino]-4-hydroxy-6-propan-2-yl-5,8-dihydro-4H-pyrazolo[1,5-d][1,4]diazepin-7-one
CID 146310249
5-[7-fluoro-3-[(6-methyl-4,5,7,8-tetrahydropyrazolo[1,5-d][1,4]diazepin-2-yl)amino]isoquinolin-6-yl]-1,6-dimethylpyrimidin-2-one
CID 166707941
2-[[7-fluoro-6-[(4R)-4-fluoro-5-methyl-3,4-dihydro-2H-pyrano[2,3-b]pyridin-6-yl]isoquinolin-3-yl]amino]-6-methyl-5,8-dihydro-4H-pyrazolo[1,5-d][1,4]diazepin-7-one
CID 159374919
2-[[7-fluoro-6-[(4R)-4-hydroxy-4,5-dimethyl-2,3-dihydropyrano[2,3-b]pyridin-6-yl]isoquinolin-3-yl]amino]-6-methyl-5,8-dihydro-4H-pyrazolo[1,5-d][1,4]diazepin-7-one
CID 158494989
2-[[8-amino-6-(3,3-dihydroxy-9-methyl-1,2-dihydropyrido[3,2-f][1,3,5]oxathiazepin-8-yl)-2,7-naphthyridin-3-yl]amino]-4,5,6,8-tetrahydropyrazolo[1,5-d][1,4]diazepin-7-one
CID 174200405

Frequently Asked Questions

What is the IUPAC name of 2-[[7-fluoro-6-(4-methyl-8-oxo-6,7-dihydro-5H-1,5-naphthyridin-3-yl)isoquinolin-3-yl]amino]-4,5,6,8-tetrahydropyrazolo[1,5-d][1,4]diazepin-7-one?
The IUPAC name of 2-[[7-fluoro-6-(4-methyl-8-oxo-6,7-dihydro-5H-1,5-naphthyridin-3-yl)isoquinolin-3-yl]amino]-4,5,6,8-tetrahydropyrazolo[1,5-d][1,4]diazepin-7-one (CID 159196921) is 2-[[7-fluoro-6-(4-methyl-8-oxo-6,7-dihydro-5H-1,5-naphthyridin-3-yl)isoquinolin-3-yl]amino]-4,5,6,8-tetrahydropyrazolo[1,5-d][1,4]diazepin-7-one.
What is the SMILES notation for 2-[[7-fluoro-6-(4-methyl-8-oxo-6,7-dihydro-5H-1,5-naphthyridin-3-yl)isoquinolin-3-yl]amino]-4,5,6,8-tetrahydropyrazolo[1,5-d][1,4]diazepin-7-one?
The canonical SMILES for 2-[[7-fluoro-6-(4-methyl-8-oxo-6,7-dihydro-5H-1,5-naphthyridin-3-yl)isoquinolin-3-yl]amino]-4,5,6,8-tetrahydropyrazolo[1,5-d][1,4]diazepin-7-one is Cc1c(-c2cc3cc(Nc4cc5n(n4)CC(=O)NCC5)ncc3cc2F)cnc2c1NCCC2=O.
What is the InChIKey of 2-[[7-fluoro-6-(4-methyl-8-oxo-6,7-dihydro-5H-1,5-naphthyridin-3-yl)isoquinolin-3-yl]amino]-4,5,6,8-tetrahydropyrazolo[1,5-d][1,4]diazepin-7-one?
The InChIKey is KOTVWXFMUKQXLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22FN7O2/c1-13-18(11-30-25-20(34)3-5-28-24(13)25)17-6-14-8-21(29-10-15(14)7-19(17)26)31-22-9-16-2-4-27-23(35)12-33(16)32-22/h6-11,28H,2-5,12H2,1H3,(H,27,35)(H,29,31,32).
What are the key properties of 2-[[7-fluoro-6-(4-methyl-8-oxo-6,7-dihydro-5H-1,5-naphthyridin-3-yl)isoquinolin-3-yl]amino]-4,5,6,8-tetrahydropyrazolo[1,5-d][1,4]diazepin-7-one?
2-[[7-fluoro-6-(4-methyl-8-oxo-6,7-dihydro-5H-1,5-naphthyridin-3-yl)isoquinolin-3-yl]amino]-4,5,6,8-tetrahydropyrazolo[1,5-d][1,4]diazepin-7-one has a molecular weight of 471.50 g/mol, XLogP of 3.36, 3 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[7-fluoro-6-(4-methyl-8-oxo-6,7-dihydro-5H-1,5-naphthyridin-3-yl)isoquinolin-3-yl]amino]-4,5,6,8-tetrahydropyrazolo[1,5-d][1,4]diazepin-7-one is sourced from PubChem (CID 159196921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).