[8-amino-7-fluoro-6-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)isoquinolin-3-yl]-[(3S,4R)-3-fluoropiperidin-4-yl]carbamic acid

About [8-amino-7-fluoro-6-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)isoquinolin-3-yl]-[(3S,4R)-3-fluoropiperidin-4-yl]carbamic acid

[8-amino-7-fluoro-6-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)isoquinolin-3-yl]-[(3S,4R)-3-fluoropiperidin-4-yl]carbamic acid (PubChem CID 146465664) has the molecular formula C23H24F2N6O3 and a molecular weight of 470.48 g/mol. Its IUPAC name is [8-amino-7-fluoro-6-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)isoquinolin-3-yl]-[(3S,4R)-3-fluoropiperidin-4-yl]carbamic acid.

Molecular Properties

Compound Name	[8-amino-7-fluoro-6-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)isoquinolin-3-yl]-[(3S,4R)-3-fluoropiperidin-4-yl]carbamic acid
PubChem CID	146465664
Molecular Formula	C23H24F2N6O3
Molecular Weight	470.48 g/mol
Exact Mass	470.19
IUPAC Name	[8-amino-7-fluoro-6-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)isoquinolin-3-yl]-[(3S,4R)-3-fluoropiperidin-4-yl]carbamic acid
SMILES	Cc1c(-c2cc3cc(N(C(=O)O)[C@@H]4CCNC[C@@H]4F)ncc3c(N)c2F)cnc2c1NCCO2
InChI	InChI=1S/C23H24F2N6O3/c1-11-14(8-30-22-21(11)28-4-5-34-22)13-6-12-7-18(29-9-15(12)20(26)19(13)25)31(23(32)33)17-2-3-27-10-16(17)24/h6-9,16-17,27-28H,2-5,10,26H2,1H3,(H,32,33)/t16-,17+/m0/s1
InChIKey	JHDHUMKKJUXCHP-DLBZAZTESA-N
XLogP	3.32
TPSA	125.63 Å²
H-Bond Donors	4
H-Bond Acceptors	7
Rotatable Bonds	3
Heavy Atoms	34
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	470.48
LogP ≤ 5	3.32
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

Structural Alerts	{'alert_name': 'aniline', 'substructure': 'N/A'}

Related Compounds

Frequently Asked Questions

What is the IUPAC name of [8-amino-7-fluoro-6-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)isoquinolin-3-yl]-[(3S,4R)-3-fluoropiperidin-4-yl]carbamic acid?

The IUPAC name of [8-amino-7-fluoro-6-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)isoquinolin-3-yl]-[(3S,4R)-3-fluoropiperidin-4-yl]carbamic acid (CID 146465664) is [8-amino-7-fluoro-6-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)isoquinolin-3-yl]-[(3S,4R)-3-fluoropiperidin-4-yl]carbamic acid.

What is the SMILES notation for [8-amino-7-fluoro-6-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)isoquinolin-3-yl]-[(3S,4R)-3-fluoropiperidin-4-yl]carbamic acid?

The canonical SMILES for [8-amino-7-fluoro-6-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)isoquinolin-3-yl]-[(3S,4R)-3-fluoropiperidin-4-yl]carbamic acid is Cc1c(-c2cc3cc(N(C(=O)O)[C@@H]4CCNC[C@@H]4F)ncc3c(N)c2F)cnc2c1NCCO2.

What is the InChIKey of [8-amino-7-fluoro-6-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)isoquinolin-3-yl]-[(3S,4R)-3-fluoropiperidin-4-yl]carbamic acid?

The InChIKey is JHDHUMKKJUXCHP-DLBZAZTESA-N. The full InChI is InChI=1S/C23H24F2N6O3/c1-11-14(8-30-22-21(11)28-4-5-34-22)13-6-12-7-18(29-9-15(12)20(26)19(13)25)31(23(32)33)17-2-3-27-10-16(17)24/h6-9,16-17,27-28H,2-5,10,26H2,1H3,(H,32,33)/t16-,17+/m0/s1.

What are the key properties of [8-amino-7-fluoro-6-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)isoquinolin-3-yl]-[(3S,4R)-3-fluoropiperidin-4-yl]carbamic acid?

[8-amino-7-fluoro-6-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)isoquinolin-3-yl]-[(3S,4R)-3-fluoropiperidin-4-yl]carbamic acid has a molecular weight of 470.48 g/mol, XLogP of 3.32, 3 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for [8-amino-7-fluoro-6-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)isoquinolin-3-yl]-[(3S,4R)-3-fluoropiperidin-4-yl]carbamic acid is sourced from PubChem (CID 146465664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).