N-(6-fluoro-1H-pyrazolo[4,3-b]pyridin-3-yl)-1-[(3S)-oxolan-3-yl]oxyisoquinolin-6-amine

C19H16FN5O2 — CID 148698316

IUPACN-(6-fluoro-1H-pyrazolo[4,3-b]pyridin-3-yl)-1-[(3S)-oxolan-3-yl]oxyisoquinolin-6-amine
SMILESFc1cnc2c(Nc3ccc4c(O[C@H]5CCOC5)nccc4c3)n[nH]c2c1
InChIInChI=1S/C19H16FN5O2/c20-12-8-16-17(22-9-12)18(25-24-16)23-13-1-2-15-11(7-13)3-5-21-19(15)27-14-4-6-26-10-14/h1-3,5,7-9,14H,4,6,10H2,(H2,23,24,25)/t14-/m0/s1
InChIKeyNUWDPHCJFXCPCE-AWEZNQCLSA-N
MW365.37 g/mol
LogP3.56
Rot. Bonds4

About N-(6-fluoro-1H-pyrazolo[4,3-b]pyridin-3-yl)-1-[(3S)-oxolan-3-yl]oxyisoquinolin-6-amine

N-(6-fluoro-1H-pyrazolo[4,3-b]pyridin-3-yl)-1-[(3S)-oxolan-3-yl]oxyisoquinolin-6-amine (PubChem CID 148698316) has the molecular formula C19H16FN5O2 and a molecular weight of 365.37 g/mol. Its IUPAC name is N-(6-fluoro-1H-pyrazolo[4,3-b]pyridin-3-yl)-1-[(3S)-oxolan-3-yl]oxyisoquinolin-6-amine.

Molecular Properties

Compound NameN-(6-fluoro-1H-pyrazolo[4,3-b]pyridin-3-yl)-1-[(3S)-oxolan-3-yl]oxyisoquinolin-6-amine
PubChem CID148698316
Molecular FormulaC19H16FN5O2
Molecular Weight365.37 g/mol
Exact Mass365.13
IUPAC NameN-(6-fluoro-1H-pyrazolo[4,3-b]pyridin-3-yl)-1-[(3S)-oxolan-3-yl]oxyisoquinolin-6-amine
SMILESFc1cnc2c(Nc3ccc4c(O[C@H]5CCOC5)nccc4c3)n[nH]c2c1
InChIInChI=1S/C19H16FN5O2/c20-12-8-16-17(22-9-12)18(25-24-16)23-13-1-2-15-11(7-13)3-5-21-19(15)27-14-4-6-26-10-14/h1-3,5,7-9,14H,4,6,10H2,(H2,23,24,25)/t14-/m0/s1
InChIKeyNUWDPHCJFXCPCE-AWEZNQCLSA-N
XLogP3.56
TPSA84.95 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.37
LogP ≤ 53.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-(6-fluoro-1H-pyrazolo[4,3-b]pyridin-3-yl)-1-[(3S)-oxolan-3-yl]oxyisoquinolin-6-amine 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 N-(6-fluoro-1H-pyrazolo[4,3-b]pyridin-3-yl)-1-[(3S)-oxolan-3-yl]oxyisoquinolin-6-amine?
The IUPAC name of N-(6-fluoro-1H-pyrazolo[4,3-b]pyridin-3-yl)-1-[(3S)-oxolan-3-yl]oxyisoquinolin-6-amine (CID 148698316) is N-(6-fluoro-1H-pyrazolo[4,3-b]pyridin-3-yl)-1-[(3S)-oxolan-3-yl]oxyisoquinolin-6-amine.
What is the SMILES notation for N-(6-fluoro-1H-pyrazolo[4,3-b]pyridin-3-yl)-1-[(3S)-oxolan-3-yl]oxyisoquinolin-6-amine?
The canonical SMILES for N-(6-fluoro-1H-pyrazolo[4,3-b]pyridin-3-yl)-1-[(3S)-oxolan-3-yl]oxyisoquinolin-6-amine is Fc1cnc2c(Nc3ccc4c(O[C@H]5CCOC5)nccc4c3)n[nH]c2c1.
What is the InChIKey of N-(6-fluoro-1H-pyrazolo[4,3-b]pyridin-3-yl)-1-[(3S)-oxolan-3-yl]oxyisoquinolin-6-amine?
The InChIKey is NUWDPHCJFXCPCE-AWEZNQCLSA-N. The full InChI is InChI=1S/C19H16FN5O2/c20-12-8-16-17(22-9-12)18(25-24-16)23-13-1-2-15-11(7-13)3-5-21-19(15)27-14-4-6-26-10-14/h1-3,5,7-9,14H,4,6,10H2,(H2,23,24,25)/t14-/m0/s1.
What are the key properties of N-(6-fluoro-1H-pyrazolo[4,3-b]pyridin-3-yl)-1-[(3S)-oxolan-3-yl]oxyisoquinolin-6-amine?
N-(6-fluoro-1H-pyrazolo[4,3-b]pyridin-3-yl)-1-[(3S)-oxolan-3-yl]oxyisoquinolin-6-amine has a molecular weight of 365.37 g/mol, XLogP of 3.56, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-fluoro-1H-pyrazolo[4,3-b]pyridin-3-yl)-1-[(3S)-oxolan-3-yl]oxyisoquinolin-6-amine is sourced from PubChem (CID 148698316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).