N-(2,3-dihydro-1H-inden-4-yl)-5-fluoro-1H-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

C30H27F2N9 — CID 167590852

IUPACN-(2,3-dihydro-1H-inden-4-yl)-5-fluoro-1H-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
SMILESFc1cc2cn[nH]c2nc1Nc1cccc2c1CCC2.Nc1[nH]nc2nc(Nc3cccc4c3CCC4)c(F)cc12
InChIInChI=1S/C15H14FN5.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,(H4,17,18,19,20,21);2,4,6-8H,1,3,5H2,(H2,17,18,19,20)
InChIKeyIKMUSOJZJQSMRB-UHFFFAOYSA-N
MW551.61 g/mol
LogP6.24
Rot. Bonds4

About N-(2,3-dihydro-1H-inden-4-yl)-5-fluoro-1H-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

N-(2,3-dihydro-1H-inden-4-yl)-5-fluoro-1H-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 167590852) has the molecular formula C30H27F2N9 and a molecular weight of 551.61 g/mol. Its IUPAC name is N-(2,3-dihydro-1H-inden-4-yl)-5-fluoro-1H-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 NameN-(2,3-dihydro-1H-inden-4-yl)-5-fluoro-1H-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 CID167590852
Molecular FormulaC30H27F2N9
Molecular Weight551.61 g/mol
Exact Mass551.24
IUPAC NameN-(2,3-dihydro-1H-inden-4-yl)-5-fluoro-1H-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
SMILESFc1cc2cn[nH]c2nc1Nc1cccc2c1CCC2.Nc1[nH]nc2nc(Nc3cccc4c3CCC4)c(F)cc12
InChIInChI=1S/C15H14FN5.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,(H4,17,18,19,20,21);2,4,6-8H,1,3,5H2,(H2,17,18,19,20)
InChIKeyIKMUSOJZJQSMRB-UHFFFAOYSA-N
XLogP6.24
TPSA133.22 Ų
H-Bond Donors5
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500551.61
LogP ≤ 56.24
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 107

Analyze N-(2,3-dihydro-1H-inden-4-yl)-5-fluoro-1H-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 N-(2,3-dihydro-1H-inden-4-yl)-5-fluoro-1H-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 N-(2,3-dihydro-1H-inden-4-yl)-5-fluoro-1H-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 167590852) is N-(2,3-dihydro-1H-inden-4-yl)-5-fluoro-1H-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 N-(2,3-dihydro-1H-inden-4-yl)-5-fluoro-1H-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 N-(2,3-dihydro-1H-inden-4-yl)-5-fluoro-1H-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 Fc1cc2cn[nH]c2nc1Nc1cccc2c1CCC2.Nc1[nH]nc2nc(Nc3cccc4c3CCC4)c(F)cc12.
What is the InChIKey of N-(2,3-dihydro-1H-inden-4-yl)-5-fluoro-1H-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 IKMUSOJZJQSMRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14FN5.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,(H4,17,18,19,20,21);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)-5-fluoro-1H-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?
N-(2,3-dihydro-1H-inden-4-yl)-5-fluoro-1H-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 551.61 g/mol, XLogP of 6.24, 4 rotatable bonds, 5 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1H-inden-4-yl)-5-fluoro-1H-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 167590852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).