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

C30H26BrF2N9 — CID 167583009

IUPAC3-bromo-N-(2,3-dihydro-1H-inden-4-yl)-5-fluoro-2H-pyrazolo[3,4-b]pyridin-6-amine;6-N-(2,3-dihydro-1H-inden-4-yl)-5-fluoro-2H-pyrazolo[3,4-b]pyridine-3,6-diamine
SMILESFc1cc2c(Br)[nH]nc2nc1Nc1cccc2c1CCC2.Nc1[nH]nc2nc(Nc3cccc4c3CCC4)c(F)cc12
InChIInChI=1S/C15H12BrFN4.C15H14FN5/c16-13-10-7-11(17)15(19-14(10)21-20-13)18-12-6-2-4-8-3-1-5-9(8)12;16-11-7-10-13(17)20-21-14(10)19-15(11)18-12-6-2-4-8-3-1-5-9(8)12/h2,4,6-7H,1,3,5H2,(H2,18,19,20,21);2,4,6-7H,1,3,5H2,(H4,17,18,19,20,21)
InChIKeyHKWBLMNYLMOKEA-UHFFFAOYSA-N
MW630.50 g/mol
LogP7.00
Rot. Bonds4

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

3-bromo-N-(2,3-dihydro-1H-inden-4-yl)-5-fluoro-2H-pyrazolo[3,4-b]pyridin-6-amine;6-N-(2,3-dihydro-1H-inden-4-yl)-5-fluoro-2H-pyrazolo[3,4-b]pyridine-3,6-diamine (PubChem CID 167583009) has the molecular formula C30H26BrF2N9 and a molecular weight of 630.50 g/mol. Its IUPAC name is 3-bromo-N-(2,3-dihydro-1H-inden-4-yl)-5-fluoro-2H-pyrazolo[3,4-b]pyridin-6-amine;6-N-(2,3-dihydro-1H-inden-4-yl)-5-fluoro-2H-pyrazolo[3,4-b]pyridine-3,6-diamine.

Molecular Properties

Compound Name3-bromo-N-(2,3-dihydro-1H-inden-4-yl)-5-fluoro-2H-pyrazolo[3,4-b]pyridin-6-amine;6-N-(2,3-dihydro-1H-inden-4-yl)-5-fluoro-2H-pyrazolo[3,4-b]pyridine-3,6-diamine
PubChem CID167583009
Molecular FormulaC30H26BrF2N9
Molecular Weight630.50 g/mol
Exact Mass629.15
IUPAC Name3-bromo-N-(2,3-dihydro-1H-inden-4-yl)-5-fluoro-2H-pyrazolo[3,4-b]pyridin-6-amine;6-N-(2,3-dihydro-1H-inden-4-yl)-5-fluoro-2H-pyrazolo[3,4-b]pyridine-3,6-diamine
SMILESFc1cc2c(Br)[nH]nc2nc1Nc1cccc2c1CCC2.Nc1[nH]nc2nc(Nc3cccc4c3CCC4)c(F)cc12
InChIInChI=1S/C15H12BrFN4.C15H14FN5/c16-13-10-7-11(17)15(19-14(10)21-20-13)18-12-6-2-4-8-3-1-5-9(8)12;16-11-7-10-13(17)20-21-14(10)19-15(11)18-12-6-2-4-8-3-1-5-9(8)12/h2,4,6-7H,1,3,5H2,(H2,18,19,20,21);2,4,6-7H,1,3,5H2,(H4,17,18,19,20,21)
InChIKeyHKWBLMNYLMOKEA-UHFFFAOYSA-N
XLogP7.00
TPSA133.22 Ų
H-Bond Donors5
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500630.50
LogP ≤ 57.00
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 107

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

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-(2,3-dihydro-1H-inden-4-yl)-5-fluoro-2H-pyrazolo[3,4-b]pyridin-6-amine;6-N-(2,3-dihydro-1H-inden-4-yl)-5-fluoro-2H-pyrazolo[3,4-b]pyridine-3,6-diamine?
The IUPAC name of 3-bromo-N-(2,3-dihydro-1H-inden-4-yl)-5-fluoro-2H-pyrazolo[3,4-b]pyridin-6-amine;6-N-(2,3-dihydro-1H-inden-4-yl)-5-fluoro-2H-pyrazolo[3,4-b]pyridine-3,6-diamine (CID 167583009) is 3-bromo-N-(2,3-dihydro-1H-inden-4-yl)-5-fluoro-2H-pyrazolo[3,4-b]pyridin-6-amine;6-N-(2,3-dihydro-1H-inden-4-yl)-5-fluoro-2H-pyrazolo[3,4-b]pyridine-3,6-diamine.
What is the SMILES notation for 3-bromo-N-(2,3-dihydro-1H-inden-4-yl)-5-fluoro-2H-pyrazolo[3,4-b]pyridin-6-amine;6-N-(2,3-dihydro-1H-inden-4-yl)-5-fluoro-2H-pyrazolo[3,4-b]pyridine-3,6-diamine?
The canonical SMILES for 3-bromo-N-(2,3-dihydro-1H-inden-4-yl)-5-fluoro-2H-pyrazolo[3,4-b]pyridin-6-amine;6-N-(2,3-dihydro-1H-inden-4-yl)-5-fluoro-2H-pyrazolo[3,4-b]pyridine-3,6-diamine is Fc1cc2c(Br)[nH]nc2nc1Nc1cccc2c1CCC2.Nc1[nH]nc2nc(Nc3cccc4c3CCC4)c(F)cc12.
What is the InChIKey of 3-bromo-N-(2,3-dihydro-1H-inden-4-yl)-5-fluoro-2H-pyrazolo[3,4-b]pyridin-6-amine;6-N-(2,3-dihydro-1H-inden-4-yl)-5-fluoro-2H-pyrazolo[3,4-b]pyridine-3,6-diamine?
The InChIKey is HKWBLMNYLMOKEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12BrFN4.C15H14FN5/c16-13-10-7-11(17)15(19-14(10)21-20-13)18-12-6-2-4-8-3-1-5-9(8)12;16-11-7-10-13(17)20-21-14(10)19-15(11)18-12-6-2-4-8-3-1-5-9(8)12/h2,4,6-7H,1,3,5H2,(H2,18,19,20,21);2,4,6-7H,1,3,5H2,(H4,17,18,19,20,21).
What are the key properties of 3-bromo-N-(2,3-dihydro-1H-inden-4-yl)-5-fluoro-2H-pyrazolo[3,4-b]pyridin-6-amine;6-N-(2,3-dihydro-1H-inden-4-yl)-5-fluoro-2H-pyrazolo[3,4-b]pyridine-3,6-diamine?
3-bromo-N-(2,3-dihydro-1H-inden-4-yl)-5-fluoro-2H-pyrazolo[3,4-b]pyridin-6-amine;6-N-(2,3-dihydro-1H-inden-4-yl)-5-fluoro-2H-pyrazolo[3,4-b]pyridine-3,6-diamine has a molecular weight of 630.50 g/mol, XLogP of 7.00, 4 rotatable bonds, 5 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-(2,3-dihydro-1H-inden-4-yl)-5-fluoro-2H-pyrazolo[3,4-b]pyridin-6-amine;6-N-(2,3-dihydro-1H-inden-4-yl)-5-fluoro-2H-pyrazolo[3,4-b]pyridine-3,6-diamine is sourced from PubChem (CID 167583009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).