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

C17H18N6O2 — CID 134192052

IUPACN-[3-(2-methoxyethoxy)-1-methylindazol-6-yl]-1H-pyrazolo[4,3-b]pyridin-3-amine
SMILESCOCCOc1nn(C)c2cc(Nc3n[nH]c4cccnc34)ccc12
InChIInChI=1S/C17H18N6O2/c1-23-14-10-11(5-6-12(14)17(22-23)25-9-8-24-2)19-16-15-13(20-21-16)4-3-7-18-15/h3-7,10H,8-9H2,1-2H3,(H2,19,20,21)
InChIKeyYWSRWQLIKKDYIJ-UHFFFAOYSA-N
MW338.37 g/mol
LogP2.61
Rot. Bonds6

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

N-[3-(2-methoxyethoxy)-1-methylindazol-6-yl]-1H-pyrazolo[4,3-b]pyridin-3-amine (PubChem CID 134192052) has the molecular formula C17H18N6O2 and a molecular weight of 338.37 g/mol. Its IUPAC name is N-[3-(2-methoxyethoxy)-1-methylindazol-6-yl]-1H-pyrazolo[4,3-b]pyridin-3-amine.

Molecular Properties

Compound NameN-[3-(2-methoxyethoxy)-1-methylindazol-6-yl]-1H-pyrazolo[4,3-b]pyridin-3-amine
PubChem CID134192052
Molecular FormulaC17H18N6O2
Molecular Weight338.37 g/mol
Exact Mass338.15
IUPAC NameN-[3-(2-methoxyethoxy)-1-methylindazol-6-yl]-1H-pyrazolo[4,3-b]pyridin-3-amine
SMILESCOCCOc1nn(C)c2cc(Nc3n[nH]c4cccnc34)ccc12
InChIInChI=1S/C17H18N6O2/c1-23-14-10-11(5-6-12(14)17(22-23)25-9-8-24-2)19-16-15-13(20-21-16)4-3-7-18-15/h3-7,10H,8-9H2,1-2H3,(H2,19,20,21)
InChIKeyYWSRWQLIKKDYIJ-UHFFFAOYSA-N
XLogP2.61
TPSA89.88 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.37
LogP ≤ 52.61
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-methoxyethoxy)-1-methylindazol-6-yl]-1H-pyrazolo[4,3-b]pyridin-3-amine?
The IUPAC name of N-[3-(2-methoxyethoxy)-1-methylindazol-6-yl]-1H-pyrazolo[4,3-b]pyridin-3-amine (CID 134192052) is N-[3-(2-methoxyethoxy)-1-methylindazol-6-yl]-1H-pyrazolo[4,3-b]pyridin-3-amine.
What is the SMILES notation for N-[3-(2-methoxyethoxy)-1-methylindazol-6-yl]-1H-pyrazolo[4,3-b]pyridin-3-amine?
The canonical SMILES for N-[3-(2-methoxyethoxy)-1-methylindazol-6-yl]-1H-pyrazolo[4,3-b]pyridin-3-amine is COCCOc1nn(C)c2cc(Nc3n[nH]c4cccnc34)ccc12.
What is the InChIKey of N-[3-(2-methoxyethoxy)-1-methylindazol-6-yl]-1H-pyrazolo[4,3-b]pyridin-3-amine?
The InChIKey is YWSRWQLIKKDYIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N6O2/c1-23-14-10-11(5-6-12(14)17(22-23)25-9-8-24-2)19-16-15-13(20-21-16)4-3-7-18-15/h3-7,10H,8-9H2,1-2H3,(H2,19,20,21).
What are the key properties of N-[3-(2-methoxyethoxy)-1-methylindazol-6-yl]-1H-pyrazolo[4,3-b]pyridin-3-amine?
N-[3-(2-methoxyethoxy)-1-methylindazol-6-yl]-1H-pyrazolo[4,3-b]pyridin-3-amine has a molecular weight of 338.37 g/mol, XLogP of 2.61, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-methoxyethoxy)-1-methylindazol-6-yl]-1H-pyrazolo[4,3-b]pyridin-3-amine is sourced from PubChem (CID 134192052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).