5-cyclopropyl-1-[(4-methoxyphenyl)methyl]-4-piperazin-1-ylpyrazolo[3,4-b]pyridine;2,2,2-trifluoroacetic acid

C23H26F3N5O3 — CID 86647260

IUPAC5-cyclopropyl-1-[(4-methoxyphenyl)methyl]-4-piperazin-1-ylpyrazolo[3,4-b]pyridine;2,2,2-trifluoroacetic acid
SMILESCOc1ccc(Cn2ncc3c(N4CCNCC4)c(C4CC4)cnc32)cc1.O=C(O)C(F)(F)F
InChIInChI=1S/C21H25N5O.C2HF3O2/c1-27-17-6-2-15(3-7-17)14-26-21-19(13-24-26)20(25-10-8-22-9-11-25)18(12-23-21)16-4-5-16;3-2(4,5)1(6)7/h2-3,6-7,12-13,16,22H,4-5,8-11,14H2,1H3;(H,6,7)
InChIKeyFHBCLILSFLNVKG-UHFFFAOYSA-N
MW477.49 g/mol
LogP3.41
Rot. Bonds5

About 5-cyclopropyl-1-[(4-methoxyphenyl)methyl]-4-piperazin-1-ylpyrazolo[3,4-b]pyridine;2,2,2-trifluoroacetic acid

5-cyclopropyl-1-[(4-methoxyphenyl)methyl]-4-piperazin-1-ylpyrazolo[3,4-b]pyridine;2,2,2-trifluoroacetic acid (PubChem CID 86647260) has the molecular formula C23H26F3N5O3 and a molecular weight of 477.49 g/mol. Its IUPAC name is 5-cyclopropyl-1-[(4-methoxyphenyl)methyl]-4-piperazin-1-ylpyrazolo[3,4-b]pyridine;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name5-cyclopropyl-1-[(4-methoxyphenyl)methyl]-4-piperazin-1-ylpyrazolo[3,4-b]pyridine;2,2,2-trifluoroacetic acid
PubChem CID86647260
Molecular FormulaC23H26F3N5O3
Molecular Weight477.49 g/mol
Exact Mass477.20
IUPAC Name5-cyclopropyl-1-[(4-methoxyphenyl)methyl]-4-piperazin-1-ylpyrazolo[3,4-b]pyridine;2,2,2-trifluoroacetic acid
SMILESCOc1ccc(Cn2ncc3c(N4CCNCC4)c(C4CC4)cnc32)cc1.O=C(O)C(F)(F)F
InChIInChI=1S/C21H25N5O.C2HF3O2/c1-27-17-6-2-15(3-7-17)14-26-21-19(13-24-26)20(25-10-8-22-9-11-25)18(12-23-21)16-4-5-16;3-2(4,5)1(6)7/h2-3,6-7,12-13,16,22H,4-5,8-11,14H2,1H3;(H,6,7)
InChIKeyFHBCLILSFLNVKG-UHFFFAOYSA-N
XLogP3.41
TPSA92.51 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.49
LogP ≤ 53.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 5-cyclopropyl-1-[(4-methoxyphenyl)methyl]-4-piperazin-1-ylpyrazolo[3,4-b]pyridine;2,2,2-trifluoroacetic acid with MolForge

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Related Compounds

3-(4-Methoxy-3-Methylphenyl)-1-(Piperidin-4-Ylmethyl)-1h-Pyrazolo[3,4-D]pyrimidin-4-Amine
CID 56835771
N-(3-methoxyphenyl)-1-methyl-6-(4-methylpiperazin-1-yl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine
CID 16456451
5-[6-(4-Methoxyphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]quinoline;bis(2,2,2-trifluoroacetic acid)
CID 57339378
ethyl 4-[(4-methoxybenzyl)amino]-1-methyl-1H-pyrazolo[3,4-b]pyridine-5-carboxylate
CID 1481686
{4-[(4-methoxybenzyl)amino]-1-methyl-1H-pyrazolo[3,4-b]pyridin-5-yl}methanol
CID 1485411
1-benzyl-N-(4-methoxyphenyl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 656061
5-(4-methoxyphenyl)-N-(pyridin-2-ylmethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 655783
1-benzyl-N-(4-(trifluoromethoxy)phenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine
CID 42633306
1-(pyridin-3-ylmethyl)-N-(4-(trifluoromethoxy)phenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine
CID 49782106
1-(pyridin-4-ylmethyl)-N-(4-(trifluoromethoxy)phenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine
CID 49782109
2-(pyridin-3-ylmethyl)-N-(4-(trifluoromethoxy)phenyl)-2H-pyrazolo[3,4-d]pyrimidin-4-amine
CID 49782338
5-(4-methoxyphenyl)-N-(2-methyl-4-pyridinyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine
CID 59186181

Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-1-[(4-methoxyphenyl)methyl]-4-piperazin-1-ylpyrazolo[3,4-b]pyridine;2,2,2-trifluoroacetic acid?
The IUPAC name of 5-cyclopropyl-1-[(4-methoxyphenyl)methyl]-4-piperazin-1-ylpyrazolo[3,4-b]pyridine;2,2,2-trifluoroacetic acid (CID 86647260) is 5-cyclopropyl-1-[(4-methoxyphenyl)methyl]-4-piperazin-1-ylpyrazolo[3,4-b]pyridine;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 5-cyclopropyl-1-[(4-methoxyphenyl)methyl]-4-piperazin-1-ylpyrazolo[3,4-b]pyridine;2,2,2-trifluoroacetic acid?
The canonical SMILES for 5-cyclopropyl-1-[(4-methoxyphenyl)methyl]-4-piperazin-1-ylpyrazolo[3,4-b]pyridine;2,2,2-trifluoroacetic acid is COc1ccc(Cn2ncc3c(N4CCNCC4)c(C4CC4)cnc32)cc1.O=C(O)C(F)(F)F.
What is the InChIKey of 5-cyclopropyl-1-[(4-methoxyphenyl)methyl]-4-piperazin-1-ylpyrazolo[3,4-b]pyridine;2,2,2-trifluoroacetic acid?
The InChIKey is FHBCLILSFLNVKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N5O.C2HF3O2/c1-27-17-6-2-15(3-7-17)14-26-21-19(13-24-26)20(25-10-8-22-9-11-25)18(12-23-21)16-4-5-16;3-2(4,5)1(6)7/h2-3,6-7,12-13,16,22H,4-5,8-11,14H2,1H3;(H,6,7).
What are the key properties of 5-cyclopropyl-1-[(4-methoxyphenyl)methyl]-4-piperazin-1-ylpyrazolo[3,4-b]pyridine;2,2,2-trifluoroacetic acid?
5-cyclopropyl-1-[(4-methoxyphenyl)methyl]-4-piperazin-1-ylpyrazolo[3,4-b]pyridine;2,2,2-trifluoroacetic acid has a molecular weight of 477.49 g/mol, XLogP of 3.41, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-1-[(4-methoxyphenyl)methyl]-4-piperazin-1-ylpyrazolo[3,4-b]pyridine;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 86647260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).