furan-3-yl-[4-[3-(4-methoxyphenyl)-4-(trifluoromethyl)-2H-pyrazolo[3,4-b]pyridin-6-yl]piperazin-1-yl]methanone

C23H20F3N5O3 — CID 44640178

IUPACfuran-3-yl-[4-[3-(4-methoxyphenyl)-4-(trifluoromethyl)-2H-pyrazolo[3,4-b]pyridin-6-yl]piperazin-1-yl]methanone
SMILESCOc1ccc(-c2[nH]nc3nc(N4CCN(C(=O)c5ccoc5)CC4)cc(C(F)(F)F)c23)cc1
InChIInChI=1S/C23H20F3N5O3/c1-33-16-4-2-14(3-5-16)20-19-17(23(24,25)26)12-18(27-21(19)29-28-20)30-7-9-31(10-8-30)22(32)15-6-11-34-13-15/h2-6,11-13H,7-10H2,1H3,(H,27,28,29)
InChIKeyHCGIAWLZAHTREB-UHFFFAOYSA-N
MW471.44 g/mol
LogP4.21
Rot. Bonds4

About furan-3-yl-[4-[3-(4-methoxyphenyl)-4-(trifluoromethyl)-2H-pyrazolo[3,4-b]pyridin-6-yl]piperazin-1-yl]methanone

furan-3-yl-[4-[3-(4-methoxyphenyl)-4-(trifluoromethyl)-2H-pyrazolo[3,4-b]pyridin-6-yl]piperazin-1-yl]methanone (PubChem CID 44640178) has the molecular formula C23H20F3N5O3 and a molecular weight of 471.44 g/mol. Its IUPAC name is furan-3-yl-[4-[3-(4-methoxyphenyl)-4-(trifluoromethyl)-2H-pyrazolo[3,4-b]pyridin-6-yl]piperazin-1-yl]methanone.

Molecular Properties

Compound Namefuran-3-yl-[4-[3-(4-methoxyphenyl)-4-(trifluoromethyl)-2H-pyrazolo[3,4-b]pyridin-6-yl]piperazin-1-yl]methanone
PubChem CID44640178
Molecular FormulaC23H20F3N5O3
Molecular Weight471.44 g/mol
Exact Mass471.15
IUPAC Namefuran-3-yl-[4-[3-(4-methoxyphenyl)-4-(trifluoromethyl)-2H-pyrazolo[3,4-b]pyridin-6-yl]piperazin-1-yl]methanone
SMILESCOc1ccc(-c2[nH]nc3nc(N4CCN(C(=O)c5ccoc5)CC4)cc(C(F)(F)F)c23)cc1
InChIInChI=1S/C23H20F3N5O3/c1-33-16-4-2-14(3-5-16)20-19-17(23(24,25)26)12-18(27-21(19)29-28-20)30-7-9-31(10-8-30)22(32)15-6-11-34-13-15/h2-6,11-13H,7-10H2,1H3,(H,27,28,29)
InChIKeyHCGIAWLZAHTREB-UHFFFAOYSA-N
XLogP4.21
TPSA87.49 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.44
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

furan-3-yl-[4-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperazin-1-yl]methanone
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CID 75528106
furan-3-yl-[4-(6-piperidin-1-ylpyrimidin-4-yl)piperazin-1-yl]methanone
CID 122343060
furan-3-yl-[4-[4-(4-methoxyanilino)-6-methylpyrimidin-2-yl]piperazin-1-yl]methanone
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[4-[6-(4-methoxyphenyl)pyrimidin-4-yl]piperazin-1-yl]-pyridin-4-ylmethanone
CID 90516875
(4-tert-butylphenyl)-[4-[6-(4-methoxyphenyl)pyrimidin-4-yl]piperazin-1-yl]methanone
CID 50840699
N-[4-[4-[5-(4-methoxyphenyl)-1H-pyrazol-3-yl]piperazine-1-carbonyl]phenyl]acetamide
CID 75528103
N-[1-[5-(4-methoxyphenyl)-1H-pyrazol-3-yl]piperidin-4-yl]furan-3-carboxamide
CID 75528349
[4-[(2,5-dimethoxyphenyl)methyl]piperazin-1-yl]-(furan-3-yl)methanone
CID 37279771
(3,5-dimethylphenyl)-[4-[6-(4-methoxyphenyl)pyrimidin-4-yl]piperazin-1-yl]methanone
CID 90516881
[4-[4-(azepan-1-yl)-6-methoxy-1,3,5-triazin-2-yl]piperazin-1-yl]-(furan-3-yl)methanone
CID 133344809
3-(4-fluorophenyl)-6-(4-methoxyphenyl)-2H-pyrazolo[3,4-b]pyridine-4-carboxylic acid
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Frequently Asked Questions

What is the IUPAC name of furan-3-yl-[4-[3-(4-methoxyphenyl)-4-(trifluoromethyl)-2H-pyrazolo[3,4-b]pyridin-6-yl]piperazin-1-yl]methanone?
The IUPAC name of furan-3-yl-[4-[3-(4-methoxyphenyl)-4-(trifluoromethyl)-2H-pyrazolo[3,4-b]pyridin-6-yl]piperazin-1-yl]methanone (CID 44640178) is furan-3-yl-[4-[3-(4-methoxyphenyl)-4-(trifluoromethyl)-2H-pyrazolo[3,4-b]pyridin-6-yl]piperazin-1-yl]methanone.
What is the SMILES notation for furan-3-yl-[4-[3-(4-methoxyphenyl)-4-(trifluoromethyl)-2H-pyrazolo[3,4-b]pyridin-6-yl]piperazin-1-yl]methanone?
The canonical SMILES for furan-3-yl-[4-[3-(4-methoxyphenyl)-4-(trifluoromethyl)-2H-pyrazolo[3,4-b]pyridin-6-yl]piperazin-1-yl]methanone is COc1ccc(-c2[nH]nc3nc(N4CCN(C(=O)c5ccoc5)CC4)cc(C(F)(F)F)c23)cc1.
What is the InChIKey of furan-3-yl-[4-[3-(4-methoxyphenyl)-4-(trifluoromethyl)-2H-pyrazolo[3,4-b]pyridin-6-yl]piperazin-1-yl]methanone?
The InChIKey is HCGIAWLZAHTREB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20F3N5O3/c1-33-16-4-2-14(3-5-16)20-19-17(23(24,25)26)12-18(27-21(19)29-28-20)30-7-9-31(10-8-30)22(32)15-6-11-34-13-15/h2-6,11-13H,7-10H2,1H3,(H,27,28,29).
What are the key properties of furan-3-yl-[4-[3-(4-methoxyphenyl)-4-(trifluoromethyl)-2H-pyrazolo[3,4-b]pyridin-6-yl]piperazin-1-yl]methanone?
furan-3-yl-[4-[3-(4-methoxyphenyl)-4-(trifluoromethyl)-2H-pyrazolo[3,4-b]pyridin-6-yl]piperazin-1-yl]methanone has a molecular weight of 471.44 g/mol, XLogP of 4.21, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for furan-3-yl-[4-[3-(4-methoxyphenyl)-4-(trifluoromethyl)-2H-pyrazolo[3,4-b]pyridin-6-yl]piperazin-1-yl]methanone is sourced from PubChem (CID 44640178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).