N-[(1S,5R)-8-azabicyclo[3.2.1]octan-3-yl]-8-pyrazol-1-yl-6H-isochromeno[3,4-b]pyridin-3-amine

C22H23N5O — CID 167502950

IUPACN-[(1S,5R)-8-azabicyclo[3.2.1]octan-3-yl]-8-pyrazol-1-yl-6H-isochromeno[3,4-b]pyridin-3-amine
SMILESc1cnn(-c2ccc3c(c2)COc2nc(NC4C[C@H]5CC[C@@H](C4)N5)ccc2-3)c1
InChIInChI=1S/C22H23N5O/c1-8-23-27(9-1)18-4-5-19-14(10-18)13-28-22-20(19)6-7-21(26-22)25-17-11-15-2-3-16(12-17)24-15/h1,4-10,15-17,24H,2-3,11-13H2,(H,25,26)/t15-,16+,17?
InChIKeyJHWYCIOWFMBVER-SJPCQFCGSA-N
MW373.46 g/mol
LogP3.52
Rot. Bonds3

About N-[(1S,5R)-8-azabicyclo[3.2.1]octan-3-yl]-8-pyrazol-1-yl-6H-isochromeno[3,4-b]pyridin-3-amine

N-[(1S,5R)-8-azabicyclo[3.2.1]octan-3-yl]-8-pyrazol-1-yl-6H-isochromeno[3,4-b]pyridin-3-amine (PubChem CID 167502950) has the molecular formula C22H23N5O and a molecular weight of 373.46 g/mol. Its IUPAC name is N-[(1S,5R)-8-azabicyclo[3.2.1]octan-3-yl]-8-pyrazol-1-yl-6H-isochromeno[3,4-b]pyridin-3-amine.

Molecular Properties

Compound NameN-[(1S,5R)-8-azabicyclo[3.2.1]octan-3-yl]-8-pyrazol-1-yl-6H-isochromeno[3,4-b]pyridin-3-amine
PubChem CID167502950
Molecular FormulaC22H23N5O
Molecular Weight373.46 g/mol
Exact Mass373.19
IUPAC NameN-[(1S,5R)-8-azabicyclo[3.2.1]octan-3-yl]-8-pyrazol-1-yl-6H-isochromeno[3,4-b]pyridin-3-amine
SMILESc1cnn(-c2ccc3c(c2)COc2nc(NC4C[C@H]5CC[C@@H](C4)N5)ccc2-3)c1
InChIInChI=1S/C22H23N5O/c1-8-23-27(9-1)18-4-5-19-14(10-18)13-28-22-20(19)6-7-21(26-22)25-17-11-15-2-3-16(12-17)24-15/h1,4-10,15-17,24H,2-3,11-13H2,(H,25,26)/t15-,16+,17?
InChIKeyJHWYCIOWFMBVER-SJPCQFCGSA-N
XLogP3.52
TPSA64.00 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.46
LogP ≤ 53.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[(1S,5R)-8-azabicyclo[3.2.1]octan-3-yl]-8-pyrazol-1-yl-6H-isochromeno[3,4-b]pyridin-3-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-[(1S,5R)-8-azabicyclo[3.2.1]octan-3-yl]-8-pyrazol-1-yl-6H-isochromeno[3,4-b]pyridin-3-amine?
The IUPAC name of N-[(1S,5R)-8-azabicyclo[3.2.1]octan-3-yl]-8-pyrazol-1-yl-6H-isochromeno[3,4-b]pyridin-3-amine (CID 167502950) is N-[(1S,5R)-8-azabicyclo[3.2.1]octan-3-yl]-8-pyrazol-1-yl-6H-isochromeno[3,4-b]pyridin-3-amine.
What is the SMILES notation for N-[(1S,5R)-8-azabicyclo[3.2.1]octan-3-yl]-8-pyrazol-1-yl-6H-isochromeno[3,4-b]pyridin-3-amine?
The canonical SMILES for N-[(1S,5R)-8-azabicyclo[3.2.1]octan-3-yl]-8-pyrazol-1-yl-6H-isochromeno[3,4-b]pyridin-3-amine is c1cnn(-c2ccc3c(c2)COc2nc(NC4C[C@H]5CC[C@@H](C4)N5)ccc2-3)c1.
What is the InChIKey of N-[(1S,5R)-8-azabicyclo[3.2.1]octan-3-yl]-8-pyrazol-1-yl-6H-isochromeno[3,4-b]pyridin-3-amine?
The InChIKey is JHWYCIOWFMBVER-SJPCQFCGSA-N. The full InChI is InChI=1S/C22H23N5O/c1-8-23-27(9-1)18-4-5-19-14(10-18)13-28-22-20(19)6-7-21(26-22)25-17-11-15-2-3-16(12-17)24-15/h1,4-10,15-17,24H,2-3,11-13H2,(H,25,26)/t15-,16+,17?.
What are the key properties of N-[(1S,5R)-8-azabicyclo[3.2.1]octan-3-yl]-8-pyrazol-1-yl-6H-isochromeno[3,4-b]pyridin-3-amine?
N-[(1S,5R)-8-azabicyclo[3.2.1]octan-3-yl]-8-pyrazol-1-yl-6H-isochromeno[3,4-b]pyridin-3-amine has a molecular weight of 373.46 g/mol, XLogP of 3.52, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S,5R)-8-azabicyclo[3.2.1]octan-3-yl]-8-pyrazol-1-yl-6H-isochromeno[3,4-b]pyridin-3-amine is sourced from PubChem (CID 167502950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).