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

C30H25F3N8 — CID 167566409

IUPACN-(2,3-dihydro-1H-inden-4-yl)-3,5-difluoro-2H-pyrazolo[3,4-b]pyridin-6-amine;N-(2,3-dihydro-1H-inden-4-yl)-5-fluoro-1H-pyrazolo[3,4-b]pyridin-6-amine
SMILESFc1cc2c(F)[nH]nc2nc1Nc1cccc2c1CCC2.Fc1cc2cn[nH]c2nc1Nc1cccc2c1CCC2
InChIInChI=1S/C15H12F2N4.C15H13FN4/c16-11-7-10-13(17)20-21-14(10)19-15(11)18-12-6-2-4-8-3-1-5-9(8)12;16-12-7-10-8-17-20-14(10)19-15(12)18-13-6-2-4-9-3-1-5-11(9)13/h2,4,6-7H,1,3,5H2,(H2,18,19,20,21);2,4,6-8H,1,3,5H2,(H2,17,18,19,20)
InChIKeyFINFBZYLPJMKOQ-UHFFFAOYSA-N
MW554.58 g/mol
LogP6.80
Rot. Bonds4

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

N-(2,3-dihydro-1H-inden-4-yl)-3,5-difluoro-2H-pyrazolo[3,4-b]pyridin-6-amine;N-(2,3-dihydro-1H-inden-4-yl)-5-fluoro-1H-pyrazolo[3,4-b]pyridin-6-amine (PubChem CID 167566409) has the molecular formula C30H25F3N8 and a molecular weight of 554.58 g/mol. Its IUPAC name is N-(2,3-dihydro-1H-inden-4-yl)-3,5-difluoro-2H-pyrazolo[3,4-b]pyridin-6-amine;N-(2,3-dihydro-1H-inden-4-yl)-5-fluoro-1H-pyrazolo[3,4-b]pyridin-6-amine.

Molecular Properties

Compound NameN-(2,3-dihydro-1H-inden-4-yl)-3,5-difluoro-2H-pyrazolo[3,4-b]pyridin-6-amine;N-(2,3-dihydro-1H-inden-4-yl)-5-fluoro-1H-pyrazolo[3,4-b]pyridin-6-amine
PubChem CID167566409
Molecular FormulaC30H25F3N8
Molecular Weight554.58 g/mol
Exact Mass554.22
IUPAC NameN-(2,3-dihydro-1H-inden-4-yl)-3,5-difluoro-2H-pyrazolo[3,4-b]pyridin-6-amine;N-(2,3-dihydro-1H-inden-4-yl)-5-fluoro-1H-pyrazolo[3,4-b]pyridin-6-amine
SMILESFc1cc2c(F)[nH]nc2nc1Nc1cccc2c1CCC2.Fc1cc2cn[nH]c2nc1Nc1cccc2c1CCC2
InChIInChI=1S/C15H12F2N4.C15H13FN4/c16-11-7-10-13(17)20-21-14(10)19-15(11)18-12-6-2-4-8-3-1-5-9(8)12;16-12-7-10-8-17-20-14(10)19-15(12)18-13-6-2-4-9-3-1-5-11(9)13/h2,4,6-7H,1,3,5H2,(H2,18,19,20,21);2,4,6-8H,1,3,5H2,(H2,17,18,19,20)
InChIKeyFINFBZYLPJMKOQ-UHFFFAOYSA-N
XLogP6.80
TPSA107.20 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500554.58
LogP ≤ 56.80
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Analyze N-(2,3-dihydro-1H-inden-4-yl)-3,5-difluoro-2H-pyrazolo[3,4-b]pyridin-6-amine;N-(2,3-dihydro-1H-inden-4-yl)-5-fluoro-1H-pyrazolo[3,4-b]pyridin-6-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1H-inden-4-yl)-3,5-difluoro-2H-pyrazolo[3,4-b]pyridin-6-amine;N-(2,3-dihydro-1H-inden-4-yl)-5-fluoro-1H-pyrazolo[3,4-b]pyridin-6-amine?
The IUPAC name of N-(2,3-dihydro-1H-inden-4-yl)-3,5-difluoro-2H-pyrazolo[3,4-b]pyridin-6-amine;N-(2,3-dihydro-1H-inden-4-yl)-5-fluoro-1H-pyrazolo[3,4-b]pyridin-6-amine (CID 167566409) is N-(2,3-dihydro-1H-inden-4-yl)-3,5-difluoro-2H-pyrazolo[3,4-b]pyridin-6-amine;N-(2,3-dihydro-1H-inden-4-yl)-5-fluoro-1H-pyrazolo[3,4-b]pyridin-6-amine.
What is the SMILES notation for N-(2,3-dihydro-1H-inden-4-yl)-3,5-difluoro-2H-pyrazolo[3,4-b]pyridin-6-amine;N-(2,3-dihydro-1H-inden-4-yl)-5-fluoro-1H-pyrazolo[3,4-b]pyridin-6-amine?
The canonical SMILES for N-(2,3-dihydro-1H-inden-4-yl)-3,5-difluoro-2H-pyrazolo[3,4-b]pyridin-6-amine;N-(2,3-dihydro-1H-inden-4-yl)-5-fluoro-1H-pyrazolo[3,4-b]pyridin-6-amine is Fc1cc2c(F)[nH]nc2nc1Nc1cccc2c1CCC2.Fc1cc2cn[nH]c2nc1Nc1cccc2c1CCC2.
What is the InChIKey of N-(2,3-dihydro-1H-inden-4-yl)-3,5-difluoro-2H-pyrazolo[3,4-b]pyridin-6-amine;N-(2,3-dihydro-1H-inden-4-yl)-5-fluoro-1H-pyrazolo[3,4-b]pyridin-6-amine?
The InChIKey is FINFBZYLPJMKOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12F2N4.C15H13FN4/c16-11-7-10-13(17)20-21-14(10)19-15(11)18-12-6-2-4-8-3-1-5-9(8)12;16-12-7-10-8-17-20-14(10)19-15(12)18-13-6-2-4-9-3-1-5-11(9)13/h2,4,6-7H,1,3,5H2,(H2,18,19,20,21);2,4,6-8H,1,3,5H2,(H2,17,18,19,20).
What are the key properties of N-(2,3-dihydro-1H-inden-4-yl)-3,5-difluoro-2H-pyrazolo[3,4-b]pyridin-6-amine;N-(2,3-dihydro-1H-inden-4-yl)-5-fluoro-1H-pyrazolo[3,4-b]pyridin-6-amine?
N-(2,3-dihydro-1H-inden-4-yl)-3,5-difluoro-2H-pyrazolo[3,4-b]pyridin-6-amine;N-(2,3-dihydro-1H-inden-4-yl)-5-fluoro-1H-pyrazolo[3,4-b]pyridin-6-amine has a molecular weight of 554.58 g/mol, XLogP of 6.80, 4 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1H-inden-4-yl)-3,5-difluoro-2H-pyrazolo[3,4-b]pyridin-6-amine;N-(2,3-dihydro-1H-inden-4-yl)-5-fluoro-1H-pyrazolo[3,4-b]pyridin-6-amine is sourced from PubChem (CID 167566409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).