formic acid;3-(2-methoxyphenyl)-5-[3-(1-methylimidazol-2-yl)phenyl]-2H-pyrazolo[3,4-b]pyridine

C24H21N5O3 — CID 68662934

IUPACformic acid;3-(2-methoxyphenyl)-5-[3-(1-methylimidazol-2-yl)phenyl]-2H-pyrazolo[3,4-b]pyridine
SMILESCOc1ccccc1-c1[nH]nc2ncc(-c3cccc(-c4nccn4C)c3)cc12.O=CO
InChIInChI=1S/C23H19N5O.CH2O2/c1-28-11-10-24-23(28)16-7-5-6-15(12-16)17-13-19-21(26-27-22(19)25-14-17)18-8-3-4-9-20(18)29-2;2-1-3/h3-14H,1-2H3,(H,25,26,27);1H,(H,2,3)
InChIKeyMZTYFFVSRIXADV-UHFFFAOYSA-N
MW427.46 g/mol
LogP4.40
Rot. Bonds4

About formic acid;3-(2-methoxyphenyl)-5-[3-(1-methylimidazol-2-yl)phenyl]-2H-pyrazolo[3,4-b]pyridine

formic acid;3-(2-methoxyphenyl)-5-[3-(1-methylimidazol-2-yl)phenyl]-2H-pyrazolo[3,4-b]pyridine (PubChem CID 68662934) has the molecular formula C24H21N5O3 and a molecular weight of 427.46 g/mol. Its IUPAC name is formic acid;3-(2-methoxyphenyl)-5-[3-(1-methylimidazol-2-yl)phenyl]-2H-pyrazolo[3,4-b]pyridine.

Molecular Properties

Compound Nameformic acid;3-(2-methoxyphenyl)-5-[3-(1-methylimidazol-2-yl)phenyl]-2H-pyrazolo[3,4-b]pyridine
PubChem CID68662934
Molecular FormulaC24H21N5O3
Molecular Weight427.46 g/mol
Exact Mass427.16
IUPAC Nameformic acid;3-(2-methoxyphenyl)-5-[3-(1-methylimidazol-2-yl)phenyl]-2H-pyrazolo[3,4-b]pyridine
SMILESCOc1ccccc1-c1[nH]nc2ncc(-c3cccc(-c4nccn4C)c3)cc12.O=CO
InChIInChI=1S/C23H19N5O.CH2O2/c1-28-11-10-24-23(28)16-7-5-6-15(12-16)17-13-19-21(26-27-22(19)25-14-17)18-8-3-4-9-20(18)29-2;2-1-3/h3-14H,1-2H3,(H,25,26,27);1H,(H,2,3)
InChIKeyMZTYFFVSRIXADV-UHFFFAOYSA-N
XLogP4.40
TPSA105.92 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.46
LogP ≤ 54.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

N-(2,4-difluorophenyl)-3-(5-(3-(dimethylamino)prop-1-ynyl)-2-methoxyphenyl)-1H-pyrazolo[3,4-d]pyrimidin-6-amine
CID 11590141
N-(2,4-difluorophenyl)-3-(2-methoxy-5-(3-(4-methylpiperazin-1-yl)prop-1-ynyl)phenyl)-1H-pyrazolo[3,4-d]pyrimidin-6-amine
CID 11634558
N-((5-(3-(5-methoxy-1H-benzo[d]imidazol-2-yl)-1H-pyrazolo[3,4-b]pyridin-5-yl)pyridin-3-yl)methyl)ethanamine
CID 135497841
[1-ethyl-5-methoxy-6-(2H-tetrazol-5-yl)imidazo[4,5-b]pyridin-2-yl]-phenyl-pyrimidin-2-ylmethanol
CID 164620295
4-(3-(6-(2,4-difluorophenylamino)-1H-pyrazolo[3,4-d]pyrimidin-3-yl)-4-methoxyphenyl)-2-methylbut-3-yn-2-ol
CID 11510363
4-(3-(6-(2,4-difluorophenylamino)-1H-pyrazolo[3,4-d]pyrimidin-3-yl)-4-methoxyphenyl)-2-methylbutan-2-ol
CID 11683606
4-(3-(6-(2,4-difluorophenylamino)-1H-pyrazolo[3,4-b]pyrazin-3-yl)-4-methoxyphenyl)-2-methylbut-3-yn-2-ol
CID 11697791
1-(2,3-dihydro-benzofuran-5-ylmethyl)-6-(1-methyl-1H-pyrazol-4-yl)-1H-[1,2,3]triazolo[4,5-b]pyrazine
CID 59341790
6-(1H-indazol-6-yl)-N-(3-methoxyphenyl)imidazo[1,2-a]pyrazin-8-amine
CID 59473155
6-(1H-indazol-6-yl)-N-(4-methoxyphenyl)imidazo[1,2-a]pyrazin-8-amine
CID 59473273
N-(3,4-dimethoxyphenyl)-6-(1H-indazol-5-yl)imidazo[1,2-a]pyrazin-8-amine
CID 59473411
3-(4-amino-6-methyl-1,3,5-triazin-2-yl)-6-(2-methoxy-3-pyridinyl)-N-(1H-pyrazol-5-yl)imidazo[1,2-a]pyridin-2-amine
CID 62706159

Frequently Asked Questions

What is the IUPAC name of formic acid;3-(2-methoxyphenyl)-5-[3-(1-methylimidazol-2-yl)phenyl]-2H-pyrazolo[3,4-b]pyridine?
The IUPAC name of formic acid;3-(2-methoxyphenyl)-5-[3-(1-methylimidazol-2-yl)phenyl]-2H-pyrazolo[3,4-b]pyridine (CID 68662934) is formic acid;3-(2-methoxyphenyl)-5-[3-(1-methylimidazol-2-yl)phenyl]-2H-pyrazolo[3,4-b]pyridine.
What is the SMILES notation for formic acid;3-(2-methoxyphenyl)-5-[3-(1-methylimidazol-2-yl)phenyl]-2H-pyrazolo[3,4-b]pyridine?
The canonical SMILES for formic acid;3-(2-methoxyphenyl)-5-[3-(1-methylimidazol-2-yl)phenyl]-2H-pyrazolo[3,4-b]pyridine is COc1ccccc1-c1[nH]nc2ncc(-c3cccc(-c4nccn4C)c3)cc12.O=CO.
What is the InChIKey of formic acid;3-(2-methoxyphenyl)-5-[3-(1-methylimidazol-2-yl)phenyl]-2H-pyrazolo[3,4-b]pyridine?
The InChIKey is MZTYFFVSRIXADV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19N5O.CH2O2/c1-28-11-10-24-23(28)16-7-5-6-15(12-16)17-13-19-21(26-27-22(19)25-14-17)18-8-3-4-9-20(18)29-2;2-1-3/h3-14H,1-2H3,(H,25,26,27);1H,(H,2,3).
What are the key properties of formic acid;3-(2-methoxyphenyl)-5-[3-(1-methylimidazol-2-yl)phenyl]-2H-pyrazolo[3,4-b]pyridine?
formic acid;3-(2-methoxyphenyl)-5-[3-(1-methylimidazol-2-yl)phenyl]-2H-pyrazolo[3,4-b]pyridine has a molecular weight of 427.46 g/mol, XLogP of 4.40, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for formic acid;3-(2-methoxyphenyl)-5-[3-(1-methylimidazol-2-yl)phenyl]-2H-pyrazolo[3,4-b]pyridine is sourced from PubChem (CID 68662934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).