N,N-diethyl-2-(1H-pyrazolo[5,4-b]pyridin-3-yloxy)ethanamine

C12H18N4O — CID 76849267

IUPACN,N-diethyl-2-(1H-pyrazolo[5,4-b]pyridin-3-yloxy)ethanamine
SMILESCCN(CC)CCOc1n[nH]c2ncccc12
InChIInChI=1S/C12H18N4O/c1-3-16(4-2)8-9-17-12-10-6-5-7-13-11(10)14-15-12/h5-7H,3-4,8-9H2,1-2H3,(H,13,14,15)
InChIKeyAKIIKCGDNWKBLN-UHFFFAOYSA-N
MW234.30 g/mol
LogP1.68
Rot. Bonds6

About N,N-diethyl-2-(1H-pyrazolo[5,4-b]pyridin-3-yloxy)ethanamine

N,N-diethyl-2-(1H-pyrazolo[5,4-b]pyridin-3-yloxy)ethanamine (PubChem CID 76849267) has the molecular formula C12H18N4O and a molecular weight of 234.30 g/mol. Its IUPAC name is N,N-diethyl-2-(1H-pyrazolo[5,4-b]pyridin-3-yloxy)ethanamine.

Molecular Properties

Compound NameN,N-diethyl-2-(1H-pyrazolo[5,4-b]pyridin-3-yloxy)ethanamine
PubChem CID76849267
Molecular FormulaC12H18N4O
Molecular Weight234.30 g/mol
Exact Mass234.15
IUPAC NameN,N-diethyl-2-(1H-pyrazolo[5,4-b]pyridin-3-yloxy)ethanamine
SMILESCCN(CC)CCOc1n[nH]c2ncccc12
InChIInChI=1S/C12H18N4O/c1-3-16(4-2)8-9-17-12-10-6-5-7-13-11(10)14-15-12/h5-7H,3-4,8-9H2,1-2H3,(H,13,14,15)
InChIKeyAKIIKCGDNWKBLN-UHFFFAOYSA-N
XLogP1.68
TPSA54.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-[2-(diethylamino)ethoxy]-3-pyridinyl]methanol
CID 61256979
N,N-diethyl-2-[4-(methylaminomethyl)isoquinolin-1-yl]oxyethanamine
CID 106777424
2-(5-chloroquinolin-8-yl)oxy-N,N-diethylethanamine
CID 146013303
3-[2-(diethylamino)ethoxy]-1H-pyrazin-2-one
CID 103241414
N-[2-(diethylamino)ethoxy]pyridin-2-amine
CID 54382786
2-[2-(diethylamino)ethoxy]-N-ethyl-N-phenylpyridine-3-carboxamide
CID 150933832
N,N-diethyl-3-[[3-(methylideneamino)-2-pyridinyl]oxy]propan-1-amine
CID 91430807
4-[2-(diethylamino)ethoxy]naphthalen-1-amine
CID 55228090
N,N-diethyl-2-(1,7-phenanthrolin-8-yloxy)ethanamine
CID 14040332
2-(2,6-dimethylphenoxy)-N,N-diethylethanamine;hydrobromide
CID 3052735
N,N-diethyl-2-[4-[1-(2H-tetrazol-5-ylmethyl)pyrazolo[5,4-b]pyridin-3-yl]phenoxy]ethanamine
CID 139646831
1-[2-(diethylamino)ethoxy]isoquinoline-3-carboxylic acid
CID 61102288

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-2-(1H-pyrazolo[5,4-b]pyridin-3-yloxy)ethanamine?
The IUPAC name of N,N-diethyl-2-(1H-pyrazolo[5,4-b]pyridin-3-yloxy)ethanamine (CID 76849267) is N,N-diethyl-2-(1H-pyrazolo[5,4-b]pyridin-3-yloxy)ethanamine.
What is the SMILES notation for N,N-diethyl-2-(1H-pyrazolo[5,4-b]pyridin-3-yloxy)ethanamine?
The canonical SMILES for N,N-diethyl-2-(1H-pyrazolo[5,4-b]pyridin-3-yloxy)ethanamine is CCN(CC)CCOc1n[nH]c2ncccc12.
What is the InChIKey of N,N-diethyl-2-(1H-pyrazolo[5,4-b]pyridin-3-yloxy)ethanamine?
The InChIKey is AKIIKCGDNWKBLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O/c1-3-16(4-2)8-9-17-12-10-6-5-7-13-11(10)14-15-12/h5-7H,3-4,8-9H2,1-2H3,(H,13,14,15).
What are the key properties of N,N-diethyl-2-(1H-pyrazolo[5,4-b]pyridin-3-yloxy)ethanamine?
N,N-diethyl-2-(1H-pyrazolo[5,4-b]pyridin-3-yloxy)ethanamine has a molecular weight of 234.30 g/mol, XLogP of 1.68, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-2-(1H-pyrazolo[5,4-b]pyridin-3-yloxy)ethanamine is sourced from PubChem (CID 76849267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).