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

C18H20N6O2 — CID 134192007

IUPACN-[3-(3-methoxypropoxy)-1-methylindazol-6-yl]-1H-pyrazolo[4,3-b]pyridin-3-amine
SMILESCOCCCOc1nn(C)c2cc(Nc3n[nH]c4cccnc34)ccc12
InChIInChI=1S/C18H20N6O2/c1-24-15-11-12(20-17-16-14(21-22-17)5-3-8-19-16)6-7-13(15)18(23-24)26-10-4-9-25-2/h3,5-8,11H,4,9-10H2,1-2H3,(H2,20,21,22)
InChIKeyRLVVDGGCZSOLJE-UHFFFAOYSA-N
MW352.40 g/mol
LogP3.00
Rot. Bonds7

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

N-[3-(3-methoxypropoxy)-1-methylindazol-6-yl]-1H-pyrazolo[4,3-b]pyridin-3-amine (PubChem CID 134192007) has the molecular formula C18H20N6O2 and a molecular weight of 352.40 g/mol. Its IUPAC name is N-[3-(3-methoxypropoxy)-1-methylindazol-6-yl]-1H-pyrazolo[4,3-b]pyridin-3-amine.

Molecular Properties

Compound NameN-[3-(3-methoxypropoxy)-1-methylindazol-6-yl]-1H-pyrazolo[4,3-b]pyridin-3-amine
PubChem CID134192007
Molecular FormulaC18H20N6O2
Molecular Weight352.40 g/mol
Exact Mass352.16
IUPAC NameN-[3-(3-methoxypropoxy)-1-methylindazol-6-yl]-1H-pyrazolo[4,3-b]pyridin-3-amine
SMILESCOCCCOc1nn(C)c2cc(Nc3n[nH]c4cccnc34)ccc12
InChIInChI=1S/C18H20N6O2/c1-24-15-11-12(20-17-16-14(21-22-17)5-3-8-19-16)6-7-13(15)18(23-24)26-10-4-9-25-2/h3,5-8,11H,4,9-10H2,1-2H3,(H2,20,21,22)
InChIKeyRLVVDGGCZSOLJE-UHFFFAOYSA-N
XLogP3.00
TPSA89.88 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.40
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze N-[3-(3-methoxypropoxy)-1-methylindazol-6-yl]-1H-pyrazolo[4,3-b]pyridin-3-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[3-(3-methoxypropoxy)-1-methylindazol-6-yl]-1H-pyrazolo[4,3-b]pyridin-3-amine?
The IUPAC name of N-[3-(3-methoxypropoxy)-1-methylindazol-6-yl]-1H-pyrazolo[4,3-b]pyridin-3-amine (CID 134192007) is N-[3-(3-methoxypropoxy)-1-methylindazol-6-yl]-1H-pyrazolo[4,3-b]pyridin-3-amine.
What is the SMILES notation for N-[3-(3-methoxypropoxy)-1-methylindazol-6-yl]-1H-pyrazolo[4,3-b]pyridin-3-amine?
The canonical SMILES for N-[3-(3-methoxypropoxy)-1-methylindazol-6-yl]-1H-pyrazolo[4,3-b]pyridin-3-amine is COCCCOc1nn(C)c2cc(Nc3n[nH]c4cccnc34)ccc12.
What is the InChIKey of N-[3-(3-methoxypropoxy)-1-methylindazol-6-yl]-1H-pyrazolo[4,3-b]pyridin-3-amine?
The InChIKey is RLVVDGGCZSOLJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N6O2/c1-24-15-11-12(20-17-16-14(21-22-17)5-3-8-19-16)6-7-13(15)18(23-24)26-10-4-9-25-2/h3,5-8,11H,4,9-10H2,1-2H3,(H2,20,21,22).
What are the key properties of N-[3-(3-methoxypropoxy)-1-methylindazol-6-yl]-1H-pyrazolo[4,3-b]pyridin-3-amine?
N-[3-(3-methoxypropoxy)-1-methylindazol-6-yl]-1H-pyrazolo[4,3-b]pyridin-3-amine has a molecular weight of 352.40 g/mol, XLogP of 3.00, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3-methoxypropoxy)-1-methylindazol-6-yl]-1H-pyrazolo[4,3-b]pyridin-3-amine is sourced from PubChem (CID 134192007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).