N-(furan-2-ylmethyl)-N-(2-methoxyethyl)-2-methyl-7-(2,4,6-trimethylphenyl)-5,6-dihydro-4H-pyrazolo[3,4-b]pyridin-3-amine;2,2,2-trifluoroacetic acid

C26H33F3N4O4 — CID 69293235

IUPACN-(furan-2-ylmethyl)-N-(2-methoxyethyl)-2-methyl-7-(2,4,6-trimethylphenyl)-5,6-dihydro-4H-pyrazolo[3,4-b]pyridin-3-amine;2,2,2-trifluoroacetic acid
SMILESCOCCN(Cc1ccco1)c1c2c(nn1C)N(c1c(C)cc(C)cc1C)CCC2.O=C(O)C(F)(F)F
InChIInChI=1S/C24H32N4O2.C2HF3O2/c1-17-14-18(2)22(19(3)15-17)28-10-6-9-21-23(28)25-26(4)24(21)27(11-13-29-5)16-20-8-7-12-30-20;3-2(4,5)1(6)7/h7-8,12,14-15H,6,9-11,13,16H2,1-5H3;(H,6,7)
InChIKeyBFAAHYJYAAMGCQ-UHFFFAOYSA-N
MW522.57 g/mol
LogP5.31
Rot. Bonds7

About N-(furan-2-ylmethyl)-N-(2-methoxyethyl)-2-methyl-7-(2,4,6-trimethylphenyl)-5,6-dihydro-4H-pyrazolo[3,4-b]pyridin-3-amine;2,2,2-trifluoroacetic acid

N-(furan-2-ylmethyl)-N-(2-methoxyethyl)-2-methyl-7-(2,4,6-trimethylphenyl)-5,6-dihydro-4H-pyrazolo[3,4-b]pyridin-3-amine;2,2,2-trifluoroacetic acid (PubChem CID 69293235) has the molecular formula C26H33F3N4O4 and a molecular weight of 522.57 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-N-(2-methoxyethyl)-2-methyl-7-(2,4,6-trimethylphenyl)-5,6-dihydro-4H-pyrazolo[3,4-b]pyridin-3-amine;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-N-(2-methoxyethyl)-2-methyl-7-(2,4,6-trimethylphenyl)-5,6-dihydro-4H-pyrazolo[3,4-b]pyridin-3-amine;2,2,2-trifluoroacetic acid
PubChem CID69293235
Molecular FormulaC26H33F3N4O4
Molecular Weight522.57 g/mol
Exact Mass522.25
IUPAC NameN-(furan-2-ylmethyl)-N-(2-methoxyethyl)-2-methyl-7-(2,4,6-trimethylphenyl)-5,6-dihydro-4H-pyrazolo[3,4-b]pyridin-3-amine;2,2,2-trifluoroacetic acid
SMILESCOCCN(Cc1ccco1)c1c2c(nn1C)N(c1c(C)cc(C)cc1C)CCC2.O=C(O)C(F)(F)F
InChIInChI=1S/C24H32N4O2.C2HF3O2/c1-17-14-18(2)22(19(3)15-17)28-10-6-9-21-23(28)25-26(4)24(21)27(11-13-29-5)16-20-8-7-12-30-20;3-2(4,5)1(6)7/h7-8,12,14-15H,6,9-11,13,16H2,1-5H3;(H,6,7)
InChIKeyBFAAHYJYAAMGCQ-UHFFFAOYSA-N
XLogP5.31
TPSA83.97 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500522.57
LogP ≤ 55.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-(furan-2-ylmethyl)-N-(2-methoxyethyl)-2-methyl-7-(2,4,6-trimethylphenyl)-5,6-dihydro-4H-pyrazolo[3,4-b]pyridin-3-amine;2,2,2-trifluoroacetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Ethyl({[3-ethyl-1-(3-methylphenyl)-5-(4-methylpiperazin-1-YL)-1H-pyrazol-4-YL]methyl})[(furan-2-YL)methyl]amine
CID 42690492
N-(furan-2-ylmethyl)-2-methyl-N-propyl-7-(2,4,6-trimethylphenyl)indazol-3-amine;2,2,2-trifluoroacetic acid
CID 69150845
7-(2-chloro-4,6-dimethylphenyl)-N-(furan-2-ylmethyl)-2-methyl-N-propyl-5,6-dihydro-4H-pyrazolo[3,4-b]pyridin-3-amine;2,2,2-trifluoroacetic acid
CID 69473704
2-(4-ethylphenyl)-4-(furan-2-ylmethyl)-7-(trifluoromethyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 140633844
7-(furan-2-ylmethyl)-4-methyl-N-(2,4,6-trimethylphenyl)-5,6-dihydropyrrolo[2,3-d]pyrimidin-2-amine;2,2,2-trifluoroacetic acid
CID 159917292
N-ethyl-9-(furan-2-ylmethyl)-4-methyl-N-(2,4,6-trimethylphenyl)-5,6,7,8-tetrahydropyrimido[4,5-b]azepin-2-amine;2,2,2-trifluoroacetic acid
CID 169425871
(Butan-2-YL)({[3-ethyl-1-(4-fluorophenyl)-5-(4-methylpiperazin-1-YL)-1H-pyrazol-4-YL]methyl})[(furan-2-YL)methyl]amine
CID 42690380
{[5-(4-Ethylpiperazin-1-YL)-1-(3-fluorophenyl)-3-propyl-1H-pyrazol-4-YL]methyl}[(furan-2-YL)methyl](propan-2-YL)amine
CID 42690447
(2S)-N-[[3-ethyl-1-(4-fluorophenyl)-5-(4-methylpiperazin-1-yl)pyrazol-4-yl]methyl]-N-(furan-2-ylmethyl)butan-2-amine
CID 93009345
(2R)-N-[[3-ethyl-1-(4-fluorophenyl)-5-(4-methylpiperazin-1-yl)pyrazol-4-yl]methyl]-N-(furan-2-ylmethyl)butan-2-amine
CID 93009346
N-(furan-2-ylmethyl)-2-methyl-N-propyl-7-(2,4,6-trimethylphenyl)indazol-3-amine
CID 21094643
N-(furan-2-ylmethyl)-N-(2-methoxyethyl)-2-methyl-7-(2,4,6-trimethylphenyl)-5,6-dihydro-4H-pyrazolo[3,4-b]pyridin-3-amine
CID 22136309

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-N-(2-methoxyethyl)-2-methyl-7-(2,4,6-trimethylphenyl)-5,6-dihydro-4H-pyrazolo[3,4-b]pyridin-3-amine;2,2,2-trifluoroacetic acid?
The IUPAC name of N-(furan-2-ylmethyl)-N-(2-methoxyethyl)-2-methyl-7-(2,4,6-trimethylphenyl)-5,6-dihydro-4H-pyrazolo[3,4-b]pyridin-3-amine;2,2,2-trifluoroacetic acid (CID 69293235) is N-(furan-2-ylmethyl)-N-(2-methoxyethyl)-2-methyl-7-(2,4,6-trimethylphenyl)-5,6-dihydro-4H-pyrazolo[3,4-b]pyridin-3-amine;2,2,2-trifluoroacetic acid.
What is the SMILES notation for N-(furan-2-ylmethyl)-N-(2-methoxyethyl)-2-methyl-7-(2,4,6-trimethylphenyl)-5,6-dihydro-4H-pyrazolo[3,4-b]pyridin-3-amine;2,2,2-trifluoroacetic acid?
The canonical SMILES for N-(furan-2-ylmethyl)-N-(2-methoxyethyl)-2-methyl-7-(2,4,6-trimethylphenyl)-5,6-dihydro-4H-pyrazolo[3,4-b]pyridin-3-amine;2,2,2-trifluoroacetic acid is COCCN(Cc1ccco1)c1c2c(nn1C)N(c1c(C)cc(C)cc1C)CCC2.O=C(O)C(F)(F)F.
What is the InChIKey of N-(furan-2-ylmethyl)-N-(2-methoxyethyl)-2-methyl-7-(2,4,6-trimethylphenyl)-5,6-dihydro-4H-pyrazolo[3,4-b]pyridin-3-amine;2,2,2-trifluoroacetic acid?
The InChIKey is BFAAHYJYAAMGCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N4O2.C2HF3O2/c1-17-14-18(2)22(19(3)15-17)28-10-6-9-21-23(28)25-26(4)24(21)27(11-13-29-5)16-20-8-7-12-30-20;3-2(4,5)1(6)7/h7-8,12,14-15H,6,9-11,13,16H2,1-5H3;(H,6,7).
What are the key properties of N-(furan-2-ylmethyl)-N-(2-methoxyethyl)-2-methyl-7-(2,4,6-trimethylphenyl)-5,6-dihydro-4H-pyrazolo[3,4-b]pyridin-3-amine;2,2,2-trifluoroacetic acid?
N-(furan-2-ylmethyl)-N-(2-methoxyethyl)-2-methyl-7-(2,4,6-trimethylphenyl)-5,6-dihydro-4H-pyrazolo[3,4-b]pyridin-3-amine;2,2,2-trifluoroacetic acid has a molecular weight of 522.57 g/mol, XLogP of 5.31, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-N-(2-methoxyethyl)-2-methyl-7-(2,4,6-trimethylphenyl)-5,6-dihydro-4H-pyrazolo[3,4-b]pyridin-3-amine;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 69293235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).