N-(2,3-dihydro-1H-inden-4-yl)-5-fluoro-1-(oxan-2-yl)-3-phenylpyrazolo[3,4-b]pyridin-6-amine

C26H25FN4O — CID 164844363

IUPACN-(2,3-dihydro-1H-inden-4-yl)-5-fluoro-1-(oxan-2-yl)-3-phenylpyrazolo[3,4-b]pyridin-6-amine
SMILESFc1cc2c(-c3ccccc3)nn(C3CCCCO3)c2nc1Nc1cccc2c1CCC2
InChIInChI=1S/C26H25FN4O/c27-21-16-20-24(18-8-2-1-3-9-18)30-31(23-14-4-5-15-32-23)26(20)29-25(21)28-22-13-7-11-17-10-6-12-19(17)22/h1-3,7-9,11,13,16,23H,4-6,10,12,14-15H2,(H,28,29)
InChIKeySJBCNECUEHHCLV-UHFFFAOYSA-N
MW428.51 g/mol
LogP6.17
Rot. Bonds4

About N-(2,3-dihydro-1H-inden-4-yl)-5-fluoro-1-(oxan-2-yl)-3-phenylpyrazolo[3,4-b]pyridin-6-amine

N-(2,3-dihydro-1H-inden-4-yl)-5-fluoro-1-(oxan-2-yl)-3-phenylpyrazolo[3,4-b]pyridin-6-amine (PubChem CID 164844363) has the molecular formula C26H25FN4O and a molecular weight of 428.51 g/mol. Its IUPAC name is N-(2,3-dihydro-1H-inden-4-yl)-5-fluoro-1-(oxan-2-yl)-3-phenylpyrazolo[3,4-b]pyridin-6-amine.

Molecular Properties

Compound NameN-(2,3-dihydro-1H-inden-4-yl)-5-fluoro-1-(oxan-2-yl)-3-phenylpyrazolo[3,4-b]pyridin-6-amine
PubChem CID164844363
Molecular FormulaC26H25FN4O
Molecular Weight428.51 g/mol
Exact Mass428.20
IUPAC NameN-(2,3-dihydro-1H-inden-4-yl)-5-fluoro-1-(oxan-2-yl)-3-phenylpyrazolo[3,4-b]pyridin-6-amine
SMILESFc1cc2c(-c3ccccc3)nn(C3CCCCO3)c2nc1Nc1cccc2c1CCC2
InChIInChI=1S/C26H25FN4O/c27-21-16-20-24(18-8-2-1-3-9-18)30-31(23-14-4-5-15-32-23)26(20)29-25(21)28-22-13-7-11-17-10-6-12-19(17)22/h1-3,7-9,11,13,16,23H,4-6,10,12,14-15H2,(H,28,29)
InChIKeySJBCNECUEHHCLV-UHFFFAOYSA-N
XLogP6.17
TPSA51.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500428.51
LogP ≤ 56.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(2,3-dihydro-1H-inden-4-yl)-5-fluoro-1-(oxan-2-yl)-3-phenylpyrazolo[3,4-b]pyridin-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-(2,3-dihydro-1H-inden-4-yl)-5-fluoro-1-(oxan-2-yl)-3-phenylpyrazolo[3,4-b]pyridin-6-amine?
The IUPAC name of N-(2,3-dihydro-1H-inden-4-yl)-5-fluoro-1-(oxan-2-yl)-3-phenylpyrazolo[3,4-b]pyridin-6-amine (CID 164844363) is N-(2,3-dihydro-1H-inden-4-yl)-5-fluoro-1-(oxan-2-yl)-3-phenylpyrazolo[3,4-b]pyridin-6-amine.
What is the SMILES notation for N-(2,3-dihydro-1H-inden-4-yl)-5-fluoro-1-(oxan-2-yl)-3-phenylpyrazolo[3,4-b]pyridin-6-amine?
The canonical SMILES for N-(2,3-dihydro-1H-inden-4-yl)-5-fluoro-1-(oxan-2-yl)-3-phenylpyrazolo[3,4-b]pyridin-6-amine is Fc1cc2c(-c3ccccc3)nn(C3CCCCO3)c2nc1Nc1cccc2c1CCC2.
What is the InChIKey of N-(2,3-dihydro-1H-inden-4-yl)-5-fluoro-1-(oxan-2-yl)-3-phenylpyrazolo[3,4-b]pyridin-6-amine?
The InChIKey is SJBCNECUEHHCLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25FN4O/c27-21-16-20-24(18-8-2-1-3-9-18)30-31(23-14-4-5-15-32-23)26(20)29-25(21)28-22-13-7-11-17-10-6-12-19(17)22/h1-3,7-9,11,13,16,23H,4-6,10,12,14-15H2,(H,28,29).
What are the key properties of N-(2,3-dihydro-1H-inden-4-yl)-5-fluoro-1-(oxan-2-yl)-3-phenylpyrazolo[3,4-b]pyridin-6-amine?
N-(2,3-dihydro-1H-inden-4-yl)-5-fluoro-1-(oxan-2-yl)-3-phenylpyrazolo[3,4-b]pyridin-6-amine has a molecular weight of 428.51 g/mol, XLogP of 6.17, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1H-inden-4-yl)-5-fluoro-1-(oxan-2-yl)-3-phenylpyrazolo[3,4-b]pyridin-6-amine is sourced from PubChem (CID 164844363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).