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

C20H22FN5O — CID 153357662

IUPAC6-N-(2,3-dihydro-1H-inden-4-yl)-5-fluoro-1-(oxan-2-yl)pyrazolo[3,4-b]pyridine-3,6-diamine
SMILESNc1nn(C2CCCCO2)c2nc(Nc3cccc4c3CCC4)c(F)cc12
InChIInChI=1S/C20H22FN5O/c21-15-11-14-18(22)25-26(17-9-1-2-10-27-17)20(14)24-19(15)23-16-8-4-6-12-5-3-7-13(12)16/h4,6,8,11,17H,1-3,5,7,9-10H2,(H2,22,25)(H,23,24)
InChIKeySAYCGHSGCZKPCM-UHFFFAOYSA-N
MW367.43 g/mol
LogP4.08
Rot. Bonds3

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

6-N-(2,3-dihydro-1H-inden-4-yl)-5-fluoro-1-(oxan-2-yl)pyrazolo[3,4-b]pyridine-3,6-diamine (PubChem CID 153357662) has the molecular formula C20H22FN5O and a molecular weight of 367.43 g/mol. Its IUPAC name is 6-N-(2,3-dihydro-1H-inden-4-yl)-5-fluoro-1-(oxan-2-yl)pyrazolo[3,4-b]pyridine-3,6-diamine.

Molecular Properties

Compound Name6-N-(2,3-dihydro-1H-inden-4-yl)-5-fluoro-1-(oxan-2-yl)pyrazolo[3,4-b]pyridine-3,6-diamine
PubChem CID153357662
Molecular FormulaC20H22FN5O
Molecular Weight367.43 g/mol
Exact Mass367.18
IUPAC Name6-N-(2,3-dihydro-1H-inden-4-yl)-5-fluoro-1-(oxan-2-yl)pyrazolo[3,4-b]pyridine-3,6-diamine
SMILESNc1nn(C2CCCCO2)c2nc(Nc3cccc4c3CCC4)c(F)cc12
InChIInChI=1S/C20H22FN5O/c21-15-11-14-18(22)25-26(17-9-1-2-10-27-17)20(14)24-19(15)23-16-8-4-6-12-5-3-7-13(12)16/h4,6,8,11,17H,1-3,5,7,9-10H2,(H2,22,25)(H,23,24)
InChIKeySAYCGHSGCZKPCM-UHFFFAOYSA-N
XLogP4.08
TPSA77.99 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.43
LogP ≤ 54.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-(3,4-dimethylphenyl)-N-(3-ethoxypropyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine
CID 16033905
3-(3-amino-4-fluorophenyl)-1-(2,3-dihydro-1H-inden-2-yl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 118025757
3-(3-Amino-4,5-difluorophenyl)-1-(2,3-dihydro-1H-inden-2-yl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine
CID 118026133
2-methyl-N-(oxan-3-ylmethyl)-5-phenylpyrazolo[1,5-a]pyrimidin-7-amine
CID 70772268
7-fluoro-N-(oxan-4-yl)pyrimido[1,6-b]indazol-3-amine
CID 164602573
4-(2,5-Difluorophenyl)-N6-(2-methoxyethyl)-2-(3-methylphenyl)-2H-pyrazolo[3,4-D]pyrimidine-3,6-diamine
CID 42669522
2-(2,5-difluorophenyl)-4-(3-methylphenyl)-6-N-[[(2R)-oxolan-2-yl]methyl]pyrazolo[3,4-d]pyrimidine-3,6-diamine
CID 93298684
3-[2-(cyclopentylmethoxy)-6-[[(1S)-1-(4-fluorophenyl)ethyl]amino]pyrimidin-4-yl]pyrazolo[1,5-a]pyrimidin-2-amine
CID 58269040
1-[6-fluoro-1-(oxan-2-yl)-1H-pyrazolo[3,4-b]pyridin-3-yl]methanamine
CID 59529781
4-(4-fluoro-2,6-dimethylphenyl)-1-(3-methoxy-3-methylbutyl)-6-N-phenylpyrazolo[3,4-d]pyrimidine-3,6-diamine
CID 68453997
1-cyclopentyl-6-fluoro-3-N-(3-methylphenyl)pyrazolo[3,4-d]pyrimidine-3,4-diamine
CID 71217576
1-(2,3-dihydro-1H-inden-2-yl)-3-[4-fluoro-3-(methylamino)phenyl]pyrazolo[3,4-d]pyrimidin-4-amine
CID 118025931

Frequently Asked Questions

What is the IUPAC name of 6-N-(2,3-dihydro-1H-inden-4-yl)-5-fluoro-1-(oxan-2-yl)pyrazolo[3,4-b]pyridine-3,6-diamine?
The IUPAC name of 6-N-(2,3-dihydro-1H-inden-4-yl)-5-fluoro-1-(oxan-2-yl)pyrazolo[3,4-b]pyridine-3,6-diamine (CID 153357662) is 6-N-(2,3-dihydro-1H-inden-4-yl)-5-fluoro-1-(oxan-2-yl)pyrazolo[3,4-b]pyridine-3,6-diamine.
What is the SMILES notation for 6-N-(2,3-dihydro-1H-inden-4-yl)-5-fluoro-1-(oxan-2-yl)pyrazolo[3,4-b]pyridine-3,6-diamine?
The canonical SMILES for 6-N-(2,3-dihydro-1H-inden-4-yl)-5-fluoro-1-(oxan-2-yl)pyrazolo[3,4-b]pyridine-3,6-diamine is Nc1nn(C2CCCCO2)c2nc(Nc3cccc4c3CCC4)c(F)cc12.
What is the InChIKey of 6-N-(2,3-dihydro-1H-inden-4-yl)-5-fluoro-1-(oxan-2-yl)pyrazolo[3,4-b]pyridine-3,6-diamine?
The InChIKey is SAYCGHSGCZKPCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22FN5O/c21-15-11-14-18(22)25-26(17-9-1-2-10-27-17)20(14)24-19(15)23-16-8-4-6-12-5-3-7-13(12)16/h4,6,8,11,17H,1-3,5,7,9-10H2,(H2,22,25)(H,23,24).
What are the key properties of 6-N-(2,3-dihydro-1H-inden-4-yl)-5-fluoro-1-(oxan-2-yl)pyrazolo[3,4-b]pyridine-3,6-diamine?
6-N-(2,3-dihydro-1H-inden-4-yl)-5-fluoro-1-(oxan-2-yl)pyrazolo[3,4-b]pyridine-3,6-diamine has a molecular weight of 367.43 g/mol, XLogP of 4.08, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-(2,3-dihydro-1H-inden-4-yl)-5-fluoro-1-(oxan-2-yl)pyrazolo[3,4-b]pyridine-3,6-diamine is sourced from PubChem (CID 153357662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).