N-[3-[2-(2-fluorophenoxy)ethoxy]-1-methylindazol-6-yl]-1H-pyrazolo[4,3-b]pyridin-3-amine

C22H19FN6O2 — CID 134192167

IUPACN-[3-[2-(2-fluorophenoxy)ethoxy]-1-methylindazol-6-yl]-1H-pyrazolo[4,3-b]pyridin-3-amine
SMILESCn1nc(OCCOc2ccccc2F)c2ccc(Nc3n[nH]c4cccnc34)cc21
InChIInChI=1S/C22H19FN6O2/c1-29-18-13-14(25-21-20-17(26-27-21)6-4-10-24-20)8-9-15(18)22(28-29)31-12-11-30-19-7-3-2-5-16(19)23/h2-10,13H,11-12H2,1H3,(H2,25,26,27)
InChIKeyICEDZXHOLJNAAQ-UHFFFAOYSA-N
MW418.43 g/mol
LogP4.19
Rot. Bonds7

About N-[3-[2-(2-fluorophenoxy)ethoxy]-1-methylindazol-6-yl]-1H-pyrazolo[4,3-b]pyridin-3-amine

N-[3-[2-(2-fluorophenoxy)ethoxy]-1-methylindazol-6-yl]-1H-pyrazolo[4,3-b]pyridin-3-amine (PubChem CID 134192167) has the molecular formula C22H19FN6O2 and a molecular weight of 418.43 g/mol. Its IUPAC name is N-[3-[2-(2-fluorophenoxy)ethoxy]-1-methylindazol-6-yl]-1H-pyrazolo[4,3-b]pyridin-3-amine.

Molecular Properties

Compound NameN-[3-[2-(2-fluorophenoxy)ethoxy]-1-methylindazol-6-yl]-1H-pyrazolo[4,3-b]pyridin-3-amine
PubChem CID134192167
Molecular FormulaC22H19FN6O2
Molecular Weight418.43 g/mol
Exact Mass418.16
IUPAC NameN-[3-[2-(2-fluorophenoxy)ethoxy]-1-methylindazol-6-yl]-1H-pyrazolo[4,3-b]pyridin-3-amine
SMILESCn1nc(OCCOc2ccccc2F)c2ccc(Nc3n[nH]c4cccnc34)cc21
InChIInChI=1S/C22H19FN6O2/c1-29-18-13-14(25-21-20-17(26-27-21)6-4-10-24-20)8-9-15(18)22(28-29)31-12-11-30-19-7-3-2-5-16(19)23/h2-10,13H,11-12H2,1H3,(H2,25,26,27)
InChIKeyICEDZXHOLJNAAQ-UHFFFAOYSA-N
XLogP4.19
TPSA89.88 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.43
LogP ≤ 54.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[3-[2-(2-fluorophenoxy)ethoxy]-1-methylindazol-6-yl]-1H-pyrazolo[4,3-b]pyridin-3-amine?
The IUPAC name of N-[3-[2-(2-fluorophenoxy)ethoxy]-1-methylindazol-6-yl]-1H-pyrazolo[4,3-b]pyridin-3-amine (CID 134192167) is N-[3-[2-(2-fluorophenoxy)ethoxy]-1-methylindazol-6-yl]-1H-pyrazolo[4,3-b]pyridin-3-amine.
What is the SMILES notation for N-[3-[2-(2-fluorophenoxy)ethoxy]-1-methylindazol-6-yl]-1H-pyrazolo[4,3-b]pyridin-3-amine?
The canonical SMILES for N-[3-[2-(2-fluorophenoxy)ethoxy]-1-methylindazol-6-yl]-1H-pyrazolo[4,3-b]pyridin-3-amine is Cn1nc(OCCOc2ccccc2F)c2ccc(Nc3n[nH]c4cccnc34)cc21.
What is the InChIKey of N-[3-[2-(2-fluorophenoxy)ethoxy]-1-methylindazol-6-yl]-1H-pyrazolo[4,3-b]pyridin-3-amine?
The InChIKey is ICEDZXHOLJNAAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19FN6O2/c1-29-18-13-14(25-21-20-17(26-27-21)6-4-10-24-20)8-9-15(18)22(28-29)31-12-11-30-19-7-3-2-5-16(19)23/h2-10,13H,11-12H2,1H3,(H2,25,26,27).
What are the key properties of N-[3-[2-(2-fluorophenoxy)ethoxy]-1-methylindazol-6-yl]-1H-pyrazolo[4,3-b]pyridin-3-amine?
N-[3-[2-(2-fluorophenoxy)ethoxy]-1-methylindazol-6-yl]-1H-pyrazolo[4,3-b]pyridin-3-amine has a molecular weight of 418.43 g/mol, XLogP of 4.19, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[2-(2-fluorophenoxy)ethoxy]-1-methylindazol-6-yl]-1H-pyrazolo[4,3-b]pyridin-3-amine is sourced from PubChem (CID 134192167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).