[(3R)-oxolan-3-yl] N-[8-amino-6-(4-cyano-5-methyl-3,4-dihydro-2H-pyrano[2,3-b]pyridin-6-yl)-7-fluoroisoquinolin-3-yl]carbamate

C24H22FN5O4 — CID 146464144

About [(3R)-oxolan-3-yl] N-[8-amino-6-(4-cyano-5-methyl-3,4-dihydro-2H-pyrano[2,3-b]pyridin-6-yl)-7-fluoroisoquinolin-3-yl]carbamate

[(3R)-oxolan-3-yl] N-[8-amino-6-(4-cyano-5-methyl-3,4-dihydro-2H-pyrano[2,3-b]pyridin-6-yl)-7-fluoroisoquinolin-3-yl]carbamate (PubChem CID 146464144) has the molecular formula C24H22FN5O4 and a molecular weight of 463.47 g/mol. Its IUPAC name is [(3R)-oxolan-3-yl] N-[8-amino-6-(4-cyano-5-methyl-3,4-dihydro-2H-pyrano[2,3-b]pyridin-6-yl)-7-fluoroisoquinolin-3-yl]carbamate.

Molecular Properties

• Compound Name: [(3R)-oxolan-3-yl] N-[8-amino-6-(4-cyano-5-methyl-3,4-dihydro-2H-pyrano[2,3-b]pyridin-6-yl)-7-fluoroisoquinolin-3-yl]carbamate
• PubChem CID: 146464144
• Molecular Formula: C24H22FN5O4
• Molecular Weight: 463.47 g/mol
• Exact Mass: 463.17
• IUPAC Name: [(3R)-oxolan-3-yl] N-[8-amino-6-(4-cyano-5-methyl-3,4-dihydro-2H-pyrano[2,3-b]pyridin-6-yl)-7-fluoroisoquinolin-3-yl]carbamate
• SMILES: Cc1c(-c2cc3cc(NC(=O)O[C@@H]4CCOC4)ncc3c(N)c2F)cnc2c1C(C#N)CCO2
• InChI: InChI=1S/C24H22FN5O4/c1-12-17(9-29-23-20(12)13(8-26)2-5-33-23)16-6-14-7-19(28-10-18(14)22(27)21(16)25)30-24(31)34-15-3-4-32-11-15/h6-7,9-10,13,15H,2-5,11,27H2,1H3,(H,28,30,31)/t13?,15-/m1/s1
• InChIKey: USPOXQOSEPZEOF-AWKYBWMHSA-N
• XLogP: 4.05
• TPSA: 132.38 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 3
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	463.47
LogP ≤ 5	4.05
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of [(3R)-oxolan-3-yl] N-[8-amino-6-(4-cyano-5-methyl-3,4-dihydro-2H-pyrano[2,3-b]pyridin-6-yl)-7-fluoroisoquinolin-3-yl]carbamate?

The IUPAC name of [(3R)-oxolan-3-yl] N-[8-amino-6-(4-cyano-5-methyl-3,4-dihydro-2H-pyrano[2,3-b]pyridin-6-yl)-7-fluoroisoquinolin-3-yl]carbamate (CID 146464144) is [(3R)-oxolan-3-yl] N-[8-amino-6-(4-cyano-5-methyl-3,4-dihydro-2H-pyrano[2,3-b]pyridin-6-yl)-7-fluoroisoquinolin-3-yl]carbamate.

What is the SMILES notation for [(3R)-oxolan-3-yl] N-[8-amino-6-(4-cyano-5-methyl-3,4-dihydro-2H-pyrano[2,3-b]pyridin-6-yl)-7-fluoroisoquinolin-3-yl]carbamate?

The canonical SMILES for [(3R)-oxolan-3-yl] N-[8-amino-6-(4-cyano-5-methyl-3,4-dihydro-2H-pyrano[2,3-b]pyridin-6-yl)-7-fluoroisoquinolin-3-yl]carbamate is Cc1c(-c2cc3cc(NC(=O)O[C@@H]4CCOC4)ncc3c(N)c2F)cnc2c1C(C#N)CCO2.

What is the InChIKey of [(3R)-oxolan-3-yl] N-[8-amino-6-(4-cyano-5-methyl-3,4-dihydro-2H-pyrano[2,3-b]pyridin-6-yl)-7-fluoroisoquinolin-3-yl]carbamate?

The InChIKey is USPOXQOSEPZEOF-AWKYBWMHSA-N. The full InChI is InChI=1S/C24H22FN5O4/c1-12-17(9-29-23-20(12)13(8-26)2-5-33-23)16-6-14-7-19(28-10-18(14)22(27)21(16)25)30-24(31)34-15-3-4-32-11-15/h6-7,9-10,13,15H,2-5,11,27H2,1H3,(H,28,30,31)/t13?,15-/m1/s1.

What are the key properties of [(3R)-oxolan-3-yl] N-[8-amino-6-(4-cyano-5-methyl-3,4-dihydro-2H-pyrano[2,3-b]pyridin-6-yl)-7-fluoroisoquinolin-3-yl]carbamate?

[(3R)-oxolan-3-yl] N-[8-amino-6-(4-cyano-5-methyl-3,4-dihydro-2H-pyrano[2,3-b]pyridin-6-yl)-7-fluoroisoquinolin-3-yl]carbamate has a molecular weight of 463.47 g/mol, XLogP of 4.05, 3 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for [(3R)-oxolan-3-yl] N-[8-amino-6-(4-cyano-5-methyl-3,4-dihydro-2H-pyrano[2,3-b]pyridin-6-yl)-7-fluoroisoquinolin-3-yl]carbamate is sourced from PubChem (CID 146464144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).