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

C18H20N6O — CID 134192035

IUPACN-(3-butoxy-1-methylindazol-6-yl)-1H-pyrazolo[4,3-b]pyridin-3-amine
SMILESCCCCOc1nn(C)c2cc(Nc3n[nH]c4cccnc34)ccc12
InChIInChI=1S/C18H20N6O/c1-3-4-10-25-18-13-8-7-12(11-15(13)24(2)23-18)20-17-16-14(21-22-17)6-5-9-19-16/h5-9,11H,3-4,10H2,1-2H3,(H2,20,21,22)
InChIKeyNZSXOQJBKRAKRH-UHFFFAOYSA-N
MW336.40 g/mol
LogP3.77
Rot. Bonds6

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

N-(3-butoxy-1-methylindazol-6-yl)-1H-pyrazolo[4,3-b]pyridin-3-amine (PubChem CID 134192035) has the molecular formula C18H20N6O and a molecular weight of 336.40 g/mol. Its IUPAC name is N-(3-butoxy-1-methylindazol-6-yl)-1H-pyrazolo[4,3-b]pyridin-3-amine.

Molecular Properties

Compound NameN-(3-butoxy-1-methylindazol-6-yl)-1H-pyrazolo[4,3-b]pyridin-3-amine
PubChem CID134192035
Molecular FormulaC18H20N6O
Molecular Weight336.40 g/mol
Exact Mass336.17
IUPAC NameN-(3-butoxy-1-methylindazol-6-yl)-1H-pyrazolo[4,3-b]pyridin-3-amine
SMILESCCCCOc1nn(C)c2cc(Nc3n[nH]c4cccnc34)ccc12
InChIInChI=1S/C18H20N6O/c1-3-4-10-25-18-13-8-7-12(11-15(13)24(2)23-18)20-17-16-14(21-22-17)6-5-9-19-16/h5-9,11H,3-4,10H2,1-2H3,(H2,20,21,22)
InChIKeyNZSXOQJBKRAKRH-UHFFFAOYSA-N
XLogP3.77
TPSA80.65 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.40
LogP ≤ 53.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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-butoxy-1-methylindazol-6-yl)-1H-pyrazolo[4,3-b]pyridin-3-amine?
The IUPAC name of N-(3-butoxy-1-methylindazol-6-yl)-1H-pyrazolo[4,3-b]pyridin-3-amine (CID 134192035) is N-(3-butoxy-1-methylindazol-6-yl)-1H-pyrazolo[4,3-b]pyridin-3-amine.
What is the SMILES notation for N-(3-butoxy-1-methylindazol-6-yl)-1H-pyrazolo[4,3-b]pyridin-3-amine?
The canonical SMILES for N-(3-butoxy-1-methylindazol-6-yl)-1H-pyrazolo[4,3-b]pyridin-3-amine is CCCCOc1nn(C)c2cc(Nc3n[nH]c4cccnc34)ccc12.
What is the InChIKey of N-(3-butoxy-1-methylindazol-6-yl)-1H-pyrazolo[4,3-b]pyridin-3-amine?
The InChIKey is NZSXOQJBKRAKRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N6O/c1-3-4-10-25-18-13-8-7-12(11-15(13)24(2)23-18)20-17-16-14(21-22-17)6-5-9-19-16/h5-9,11H,3-4,10H2,1-2H3,(H2,20,21,22).
What are the key properties of N-(3-butoxy-1-methylindazol-6-yl)-1H-pyrazolo[4,3-b]pyridin-3-amine?
N-(3-butoxy-1-methylindazol-6-yl)-1H-pyrazolo[4,3-b]pyridin-3-amine has a molecular weight of 336.40 g/mol, XLogP of 3.77, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-butoxy-1-methylindazol-6-yl)-1H-pyrazolo[4,3-b]pyridin-3-amine is sourced from PubChem (CID 134192035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).