7-azaspiro[3.5]nonan-2-yl N-[8-amino-7-fluoro-6-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)isoquinolin-3-yl]carbamate

About 7-azaspiro[3.5]nonan-2-yl N-[8-amino-7-fluoro-6-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)isoquinolin-3-yl]carbamate

7-azaspiro[3.5]nonan-2-yl N-[8-amino-7-fluoro-6-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)isoquinolin-3-yl]carbamate (PubChem CID 146463305) has the molecular formula C26H29FN6O3 and a molecular weight of 492.56 g/mol. Its IUPAC name is 7-azaspiro[3.5]nonan-2-yl N-[8-amino-7-fluoro-6-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)isoquinolin-3-yl]carbamate.

Molecular Properties

Compound Name	7-azaspiro[3.5]nonan-2-yl N-[8-amino-7-fluoro-6-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)isoquinolin-3-yl]carbamate
PubChem CID	146463305
Molecular Formula	C26H29FN6O3
Molecular Weight	492.56 g/mol
Exact Mass	492.23
IUPAC Name	7-azaspiro[3.5]nonan-2-yl N-[8-amino-7-fluoro-6-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)isoquinolin-3-yl]carbamate
SMILES	Cc1c(-c2cc3cc(NC(=O)OC4CC5(CCNCC5)C4)ncc3c(N)c2F)cnc2c1NCCO2
InChI	InChI=1S/C26H29FN6O3/c1-14-18(12-32-24-23(14)30-6-7-35-24)17-8-15-9-20(31-13-19(15)22(28)21(17)27)33-25(34)36-16-10-26(11-16)2-4-29-5-3-26/h8-9,12-13,16,29-30H,2-7,10-11,28H2,1H3,(H,31,33,34)
InChIKey	GWRMUWIUNPARMF-UHFFFAOYSA-N
XLogP	4.21
TPSA	123.42 Å²
H-Bond Donors	4
H-Bond Acceptors	8
Rotatable Bonds	3
Heavy Atoms	36
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	492.56
LogP ≤ 5	4.21
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Related Compounds

Frequently Asked Questions

What is the IUPAC name of 7-azaspiro[3.5]nonan-2-yl N-[8-amino-7-fluoro-6-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)isoquinolin-3-yl]carbamate?

The IUPAC name of 7-azaspiro[3.5]nonan-2-yl N-[8-amino-7-fluoro-6-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)isoquinolin-3-yl]carbamate (CID 146463305) is 7-azaspiro[3.5]nonan-2-yl N-[8-amino-7-fluoro-6-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)isoquinolin-3-yl]carbamate.

What is the SMILES notation for 7-azaspiro[3.5]nonan-2-yl N-[8-amino-7-fluoro-6-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)isoquinolin-3-yl]carbamate?

The canonical SMILES for 7-azaspiro[3.5]nonan-2-yl N-[8-amino-7-fluoro-6-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)isoquinolin-3-yl]carbamate is Cc1c(-c2cc3cc(NC(=O)OC4CC5(CCNCC5)C4)ncc3c(N)c2F)cnc2c1NCCO2.

What is the InChIKey of 7-azaspiro[3.5]nonan-2-yl N-[8-amino-7-fluoro-6-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)isoquinolin-3-yl]carbamate?

The InChIKey is GWRMUWIUNPARMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29FN6O3/c1-14-18(12-32-24-23(14)30-6-7-35-24)17-8-15-9-20(31-13-19(15)22(28)21(17)27)33-25(34)36-16-10-26(11-16)2-4-29-5-3-26/h8-9,12-13,16,29-30H,2-7,10-11,28H2,1H3,(H,31,33,34).

What are the key properties of 7-azaspiro[3.5]nonan-2-yl N-[8-amino-7-fluoro-6-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)isoquinolin-3-yl]carbamate?

7-azaspiro[3.5]nonan-2-yl N-[8-amino-7-fluoro-6-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)isoquinolin-3-yl]carbamate has a molecular weight of 492.56 g/mol, XLogP of 4.21, 3 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 7-azaspiro[3.5]nonan-2-yl N-[8-amino-7-fluoro-6-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)isoquinolin-3-yl]carbamate is sourced from PubChem (CID 146463305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).