3-[2-(2-fluorophenoxy)ethoxy]-1-methyl-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)indazol-6-amine

C23H20FN5O2 — CID 152793790

IUPAC3-[2-(2-fluorophenoxy)ethoxy]-1-methyl-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)indazol-6-amine
SMILESCn1nc(OCCOc2ccccc2F)c2ccc(NC3=NCc4cccnc43)cc21
InChIInChI=1S/C23H20FN5O2/c1-29-19-13-16(27-22-21-15(14-26-22)5-4-10-25-21)8-9-17(19)23(28-29)31-12-11-30-20-7-3-2-6-18(20)24/h2-10,13H,11-12,14H2,1H3,(H,26,27)
InChIKeySKKZHFPPSDHEOU-UHFFFAOYSA-N
MW417.44 g/mol
LogP3.94
Rot. Bonds6

About 3-[2-(2-fluorophenoxy)ethoxy]-1-methyl-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)indazol-6-amine

3-[2-(2-fluorophenoxy)ethoxy]-1-methyl-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)indazol-6-amine (PubChem CID 152793790) has the molecular formula C23H20FN5O2 and a molecular weight of 417.44 g/mol. Its IUPAC name is 3-[2-(2-fluorophenoxy)ethoxy]-1-methyl-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)indazol-6-amine.

Molecular Properties

Compound Name3-[2-(2-fluorophenoxy)ethoxy]-1-methyl-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)indazol-6-amine
PubChem CID152793790
Molecular FormulaC23H20FN5O2
Molecular Weight417.44 g/mol
Exact Mass417.16
IUPAC Name3-[2-(2-fluorophenoxy)ethoxy]-1-methyl-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)indazol-6-amine
SMILESCn1nc(OCCOc2ccccc2F)c2ccc(NC3=NCc4cccnc43)cc21
InChIInChI=1S/C23H20FN5O2/c1-29-19-13-16(27-22-21-15(14-26-22)5-4-10-25-21)8-9-17(19)23(28-29)31-12-11-30-20-7-3-2-6-18(20)24/h2-10,13H,11-12,14H2,1H3,(H,26,27)
InChIKeySKKZHFPPSDHEOU-UHFFFAOYSA-N
XLogP3.94
TPSA73.56 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.44
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

4-N-(2,3-dimethylindazol-6-yl)-2-N-(3-methoxyphenyl)-4-N-methylpyrimidine-2,4-diamine
CID 54673096
2-N-(3-methoxyphenyl)-4-N-methyl-4-N-(2-methylindazol-6-yl)pyrimidine-2,4-diamine
CID 56649380
N-(1-methyl-3-propan-2-yloxyindazol-6-yl)-1H-pyrazolo[4,3-b]pyridin-3-amine
CID 134191965
N-[1-methyl-3-(2-methylpropoxy)indazol-6-yl]-1H-pyrazolo[4,3-b]pyridin-3-amine
CID 134192062
N-[1-methyl-3-(oxan-4-yloxy)indazol-6-yl]-1H-pyrazolo[4,3-b]pyridin-3-amine
CID 134192169
N-[1-methyl-3-(oxan-2-ylmethoxy)indazol-6-yl]-1H-pyrazolo[4,3-b]pyridin-3-amine
CID 134198051
1-(4-ethoxyphenyl)-2-[3-(1H-pyrazol-1-yl)propyl]-2,3,4,9-tetrahydro-1H-beta-carboline
CID 16190447
6-(2-Fluoro-6-methoxyphenyl)-1-[3-(4-methylpiperazin-1-yl)phenyl]pyrazolo[4,3-c]pyridine
CID 162647208
6-(2-Ethoxy-6-fluorophenyl)-1-[4-(4-methylpiperazin-1-yl)phenyl]pyrazolo[4,3-c]pyridine
CID 162665862
N-[1-methyl-3-(1-methylpiperidin-4-yl)oxyindazol-6-yl]-1H-pyrazolo[4,3-b]pyridin-3-amine
CID 134192002
2-[1-(4-ethoxy-2,6-difluorobenzyl)-1H-indazol-3-yl]-N-(pyridin-4-yl)pyrimidin-4-amine
CID 86732434
US10954240, Example 42
CID 118930246

Frequently Asked Questions

What is the IUPAC name of 3-[2-(2-fluorophenoxy)ethoxy]-1-methyl-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)indazol-6-amine?
The IUPAC name of 3-[2-(2-fluorophenoxy)ethoxy]-1-methyl-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)indazol-6-amine (CID 152793790) is 3-[2-(2-fluorophenoxy)ethoxy]-1-methyl-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)indazol-6-amine.
What is the SMILES notation for 3-[2-(2-fluorophenoxy)ethoxy]-1-methyl-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)indazol-6-amine?
The canonical SMILES for 3-[2-(2-fluorophenoxy)ethoxy]-1-methyl-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)indazol-6-amine is Cn1nc(OCCOc2ccccc2F)c2ccc(NC3=NCc4cccnc43)cc21.
What is the InChIKey of 3-[2-(2-fluorophenoxy)ethoxy]-1-methyl-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)indazol-6-amine?
The InChIKey is SKKZHFPPSDHEOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20FN5O2/c1-29-19-13-16(27-22-21-15(14-26-22)5-4-10-25-21)8-9-17(19)23(28-29)31-12-11-30-20-7-3-2-6-18(20)24/h2-10,13H,11-12,14H2,1H3,(H,26,27).
What are the key properties of 3-[2-(2-fluorophenoxy)ethoxy]-1-methyl-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)indazol-6-amine?
3-[2-(2-fluorophenoxy)ethoxy]-1-methyl-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)indazol-6-amine has a molecular weight of 417.44 g/mol, XLogP of 3.94, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(2-fluorophenoxy)ethoxy]-1-methyl-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)indazol-6-amine is sourced from PubChem (CID 152793790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).