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

C20H21FN4O — CID 164844301

IUPACN-(2,3-dihydro-1H-inden-4-yl)-5-fluoro-1-(oxan-2-yl)pyrazolo[3,4-b]pyridin-6-amine
SMILESFc1cc2cnn(C3CCCCO3)c2nc1Nc1cccc2c1CCC2
InChIInChI=1S/C20H21FN4O/c21-16-11-14-12-22-25(18-9-1-2-10-26-18)20(14)24-19(16)23-17-8-4-6-13-5-3-7-15(13)17/h4,6,8,11-12,18H,1-3,5,7,9-10H2,(H,23,24)
InChIKeyWDFYHCDQKKYATE-UHFFFAOYSA-N
MW352.41 g/mol
LogP4.50
Rot. Bonds3

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

N-(2,3-dihydro-1H-inden-4-yl)-5-fluoro-1-(oxan-2-yl)pyrazolo[3,4-b]pyridin-6-amine (PubChem CID 164844301) has the molecular formula C20H21FN4O and a molecular weight of 352.41 g/mol. Its IUPAC name is N-(2,3-dihydro-1H-inden-4-yl)-5-fluoro-1-(oxan-2-yl)pyrazolo[3,4-b]pyridin-6-amine.

Molecular Properties

Compound NameN-(2,3-dihydro-1H-inden-4-yl)-5-fluoro-1-(oxan-2-yl)pyrazolo[3,4-b]pyridin-6-amine
PubChem CID164844301
Molecular FormulaC20H21FN4O
Molecular Weight352.41 g/mol
Exact Mass352.17
IUPAC NameN-(2,3-dihydro-1H-inden-4-yl)-5-fluoro-1-(oxan-2-yl)pyrazolo[3,4-b]pyridin-6-amine
SMILESFc1cc2cnn(C3CCCCO3)c2nc1Nc1cccc2c1CCC2
InChIInChI=1S/C20H21FN4O/c21-16-11-14-12-22-25(18-9-1-2-10-26-18)20(14)24-19(16)23-17-8-4-6-13-5-3-7-15(13)17/h4,6,8,11-12,18H,1-3,5,7,9-10H2,(H,23,24)
InChIKeyWDFYHCDQKKYATE-UHFFFAOYSA-N
XLogP4.50
TPSA51.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.41
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1H-inden-4-yl)-5-fluoro-1-(oxan-2-yl)pyrazolo[3,4-b]pyridin-6-amine?
The IUPAC name of N-(2,3-dihydro-1H-inden-4-yl)-5-fluoro-1-(oxan-2-yl)pyrazolo[3,4-b]pyridin-6-amine (CID 164844301) is N-(2,3-dihydro-1H-inden-4-yl)-5-fluoro-1-(oxan-2-yl)pyrazolo[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)pyrazolo[3,4-b]pyridin-6-amine?
The canonical SMILES for N-(2,3-dihydro-1H-inden-4-yl)-5-fluoro-1-(oxan-2-yl)pyrazolo[3,4-b]pyridin-6-amine is Fc1cc2cnn(C3CCCCO3)c2nc1Nc1cccc2c1CCC2.
What is the InChIKey of N-(2,3-dihydro-1H-inden-4-yl)-5-fluoro-1-(oxan-2-yl)pyrazolo[3,4-b]pyridin-6-amine?
The InChIKey is WDFYHCDQKKYATE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21FN4O/c21-16-11-14-12-22-25(18-9-1-2-10-26-18)20(14)24-19(16)23-17-8-4-6-13-5-3-7-15(13)17/h4,6,8,11-12,18H,1-3,5,7,9-10H2,(H,23,24).
What are the key properties of N-(2,3-dihydro-1H-inden-4-yl)-5-fluoro-1-(oxan-2-yl)pyrazolo[3,4-b]pyridin-6-amine?
N-(2,3-dihydro-1H-inden-4-yl)-5-fluoro-1-(oxan-2-yl)pyrazolo[3,4-b]pyridin-6-amine has a molecular weight of 352.41 g/mol, XLogP of 4.50, 3 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)pyrazolo[3,4-b]pyridin-6-amine is sourced from PubChem (CID 164844301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).