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

C24H20F3N7O2 — CID 146310283

IUPAC2-[[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
SMILESCc1c(-c2cc3cc(Nc4cc5n(n4)CC(=O)NCC5)ncc3cc2F)cnc2c1NCC(F)(F)O2
InChIInChI=1S/C24H20F3N7O2/c1-12-17(9-30-23-22(12)31-11-24(26,27)36-23)16-4-13-6-19(29-8-14(13)5-18(16)25)32-20-7-15-2-3-28-21(35)10-34(15)33-20/h4-9,31H,2-3,10-11H2,1H3,(H,28,35)(H,29,32,33)
InChIKeyNKBITTYRPISGJJ-UHFFFAOYSA-N
MW495.47 g/mol
LogP3.75
Rot. Bonds3

About 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

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 (PubChem CID 146310283) has the molecular formula C24H20F3N7O2 and a molecular weight of 495.47 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name2-[[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
PubChem CID146310283
Molecular FormulaC24H20F3N7O2
Molecular Weight495.47 g/mol
Exact Mass495.16
IUPAC Name2-[[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
SMILESCc1c(-c2cc3cc(Nc4cc5n(n4)CC(=O)NCC5)ncc3cc2F)cnc2c1NCC(F)(F)O2
InChIInChI=1S/C24H20F3N7O2/c1-12-17(9-30-23-22(12)31-11-24(26,27)36-23)16-4-13-6-19(29-8-14(13)5-18(16)25)32-20-7-15-2-3-28-21(35)10-34(15)33-20/h4-9,31H,2-3,10-11H2,1H3,(H,28,35)(H,29,32,33)
InChIKeyNKBITTYRPISGJJ-UHFFFAOYSA-N
XLogP3.75
TPSA105.99 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500495.47
LogP ≤ 53.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze 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 with MolForge

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Launch Full Analysis

Related Compounds

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
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-[[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-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-[[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-(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
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-[[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
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-[[8-amino-6-(3-hydroxy-5-methyl-3,4-dihydro-2H-pyrano[2,3-b]pyridin-6-yl)-2,7-naphthyridin-3-yl]amino]-4,5,6,8-tetrahydropyrazolo[1,5-d][1,4]diazepin-7-one
CID 135345210
7-[7-fluoro-3-[[6-(2-morpholin-4-ylethyl)-7-oxo-5,8-dihydro-4H-pyrazolo[1,5-d][1,4]diazepin-2-yl]amino]isoquinolin-6-yl]-8-methyl-2,3-dihydropyrido[2,3-b][1,4]oxazine-1-carboxylic acid
CID 159704100

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Cc1c(-c2cc3cc(Nc4cc5n(n4)CC(=O)NCC5)ncc3cc2F)cnc2c1NCC(F)(F)O2.
What is the InChIKey of 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?
The InChIKey is NKBITTYRPISGJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20F3N7O2/c1-12-17(9-30-23-22(12)31-11-24(26,27)36-23)16-4-13-6-19(29-8-14(13)5-18(16)25)32-20-7-15-2-3-28-21(35)10-34(15)33-20/h4-9,31H,2-3,10-11H2,1H3,(H,28,35)(H,29,32,33).
What are the key properties of 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?
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 has a molecular weight of 495.47 g/mol, XLogP of 3.75, 3 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 146310283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).