(4-fluoropiperidin-4-yl) N-[7-fluoro-6-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)isoquinolin-3-yl]-N-methylcarbamate

C24H25F2N5O3 — CID 171612936

IUPAC(4-fluoropiperidin-4-yl) N-[7-fluoro-6-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)isoquinolin-3-yl]-N-methylcarbamate
SMILESCc1c(-c2cc3cc(N(C)C(=O)OC4(F)CCNCC4)ncc3cc2F)cnc2c1NCCO2
InChIInChI=1S/C24H25F2N5O3/c1-14-18(13-30-22-21(14)28-7-8-33-22)17-9-15-11-20(29-12-16(15)10-19(17)25)31(2)23(32)34-24(26)3-5-27-6-4-24/h9-13,27-28H,3-8H2,1-2H3
InChIKeyYJVSNJHLMXLOHP-UHFFFAOYSA-N
MW469.49 g/mol
LogP4.17
Rot. Bonds3

About (4-fluoropiperidin-4-yl) N-[7-fluoro-6-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)isoquinolin-3-yl]-N-methylcarbamate

(4-fluoropiperidin-4-yl) N-[7-fluoro-6-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)isoquinolin-3-yl]-N-methylcarbamate (PubChem CID 171612936) has the molecular formula C24H25F2N5O3 and a molecular weight of 469.49 g/mol. Its IUPAC name is (4-fluoropiperidin-4-yl) N-[7-fluoro-6-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)isoquinolin-3-yl]-N-methylcarbamate.

Molecular Properties

Compound Name(4-fluoropiperidin-4-yl) N-[7-fluoro-6-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)isoquinolin-3-yl]-N-methylcarbamate
PubChem CID171612936
Molecular FormulaC24H25F2N5O3
Molecular Weight469.49 g/mol
Exact Mass469.19
IUPAC Name(4-fluoropiperidin-4-yl) N-[7-fluoro-6-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)isoquinolin-3-yl]-N-methylcarbamate
SMILESCc1c(-c2cc3cc(N(C)C(=O)OC4(F)CCNCC4)ncc3cc2F)cnc2c1NCCO2
InChIInChI=1S/C24H25F2N5O3/c1-14-18(13-30-22-21(14)28-7-8-33-22)17-9-15-11-20(29-12-16(15)10-19(17)25)31(2)23(32)34-24(26)3-5-27-6-4-24/h9-13,27-28H,3-8H2,1-2H3
InChIKeyYJVSNJHLMXLOHP-UHFFFAOYSA-N
XLogP4.17
TPSA88.61 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.49
LogP ≤ 54.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze (4-fluoropiperidin-4-yl) N-[7-fluoro-6-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)isoquinolin-3-yl]-N-methylcarbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (4-fluoropiperidin-4-yl) N-[7-fluoro-6-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)isoquinolin-3-yl]-N-methylcarbamate?
The IUPAC name of (4-fluoropiperidin-4-yl) N-[7-fluoro-6-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)isoquinolin-3-yl]-N-methylcarbamate (CID 171612936) is (4-fluoropiperidin-4-yl) N-[7-fluoro-6-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)isoquinolin-3-yl]-N-methylcarbamate.
What is the SMILES notation for (4-fluoropiperidin-4-yl) N-[7-fluoro-6-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)isoquinolin-3-yl]-N-methylcarbamate?
The canonical SMILES for (4-fluoropiperidin-4-yl) N-[7-fluoro-6-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)isoquinolin-3-yl]-N-methylcarbamate is Cc1c(-c2cc3cc(N(C)C(=O)OC4(F)CCNCC4)ncc3cc2F)cnc2c1NCCO2.
What is the InChIKey of (4-fluoropiperidin-4-yl) N-[7-fluoro-6-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)isoquinolin-3-yl]-N-methylcarbamate?
The InChIKey is YJVSNJHLMXLOHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25F2N5O3/c1-14-18(13-30-22-21(14)28-7-8-33-22)17-9-15-11-20(29-12-16(15)10-19(17)25)31(2)23(32)34-24(26)3-5-27-6-4-24/h9-13,27-28H,3-8H2,1-2H3.
What are the key properties of (4-fluoropiperidin-4-yl) N-[7-fluoro-6-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)isoquinolin-3-yl]-N-methylcarbamate?
(4-fluoropiperidin-4-yl) N-[7-fluoro-6-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)isoquinolin-3-yl]-N-methylcarbamate has a molecular weight of 469.49 g/mol, XLogP of 4.17, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (4-fluoropiperidin-4-yl) N-[7-fluoro-6-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)isoquinolin-3-yl]-N-methylcarbamate is sourced from PubChem (CID 171612936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).