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

C19H20N6O — CID 134191491

IUPAC1-[2-(dimethylamino)ethoxy]-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine
SMILESCN(C)CCOc1nccc2cc(Nc3n[nH]c4cccnc34)ccc12
InChIInChI=1S/C19H20N6O/c1-25(2)10-11-26-19-15-6-5-14(12-13(15)7-9-21-19)22-18-17-16(23-24-18)4-3-8-20-17/h3-9,12H,10-11H2,1-2H3,(H2,22,23,24)
InChIKeyPOOUMBQHMMWMEU-UHFFFAOYSA-N
MW348.41 g/mol
LogP3.19
Rot. Bonds6

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

1-[2-(dimethylamino)ethoxy]-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine (PubChem CID 134191491) has the molecular formula C19H20N6O and a molecular weight of 348.41 g/mol. Its IUPAC name is 1-[2-(dimethylamino)ethoxy]-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine.

Molecular Properties

Compound Name1-[2-(dimethylamino)ethoxy]-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine
PubChem CID134191491
Molecular FormulaC19H20N6O
Molecular Weight348.41 g/mol
Exact Mass348.17
IUPAC Name1-[2-(dimethylamino)ethoxy]-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine
SMILESCN(C)CCOc1nccc2cc(Nc3n[nH]c4cccnc34)ccc12
InChIInChI=1S/C19H20N6O/c1-25(2)10-11-26-19-15-6-5-14(12-13(15)7-9-21-19)22-18-17-16(23-24-18)4-3-8-20-17/h3-9,12H,10-11H2,1-2H3,(H2,22,23,24)
InChIKeyPOOUMBQHMMWMEU-UHFFFAOYSA-N
XLogP3.19
TPSA78.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.41
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

7-(2,6-dimethylphenyl)-5-methyl-N-(2-(2-(pyrrolidin-1-yl)ethoxy)pyridin-4-yl)benzo[e][1,2,4]triazin-3-amine
CID 44425303
2-[(3R,5R)-3,5-dimethylmorpholin-4-yl]-4-isopropoxy-8-(1H-pyrazol-5-yl)-1,7-naphthyridine
CID 118869143
2-[(3R,5S)-3,5-dimethylmorpholin-4-yl]-4-isopropoxy-8-(1H-pyrazol-5-yl)-1,7-naphthyridine
CID 118869315
US10772893, Example 40
CID 118869375
US10772893, Example 67
CID 118869603
US10772893, Example 51
CID 118890650
N-(1-methyl-3-propan-2-yloxyindazol-6-yl)-1H-pyrazolo[4,3-b]pyridin-3-amine
CID 134191965
N-[1-methyl-3-(2-methylpropoxy)indazol-6-yl]-1H-pyrazolo[4,3-b]pyridin-3-amine
CID 134192062
N-[1-methyl-3-(oxan-4-yloxy)indazol-6-yl]-1H-pyrazolo[4,3-b]pyridin-3-amine
CID 134192169
N-[1-methyl-3-(oxan-2-ylmethoxy)indazol-6-yl]-1H-pyrazolo[4,3-b]pyridin-3-amine
CID 134198051
5-(2-fluoro-6-methoxyphenyl)-N-[[4-(4-methylpiperazin-1-yl)phenyl]methyl]-1H-pyrazolo[3,4-c]pyridin-3-amine
CID 134327706
2-(2-(Tert-butyl)phenoxy)-N-(5-phenyl-1H-pyrazol-3-yl)pyridin-3-amine
CID 71655430

Frequently Asked Questions

What is the IUPAC name of 1-[2-(dimethylamino)ethoxy]-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine?
The IUPAC name of 1-[2-(dimethylamino)ethoxy]-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine (CID 134191491) is 1-[2-(dimethylamino)ethoxy]-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine.
What is the SMILES notation for 1-[2-(dimethylamino)ethoxy]-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine?
The canonical SMILES for 1-[2-(dimethylamino)ethoxy]-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine is CN(C)CCOc1nccc2cc(Nc3n[nH]c4cccnc34)ccc12.
What is the InChIKey of 1-[2-(dimethylamino)ethoxy]-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine?
The InChIKey is POOUMBQHMMWMEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N6O/c1-25(2)10-11-26-19-15-6-5-14(12-13(15)7-9-21-19)22-18-17-16(23-24-18)4-3-8-20-17/h3-9,12H,10-11H2,1-2H3,(H2,22,23,24).
What are the key properties of 1-[2-(dimethylamino)ethoxy]-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine?
1-[2-(dimethylamino)ethoxy]-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine has a molecular weight of 348.41 g/mol, XLogP of 3.19, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(dimethylamino)ethoxy]-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine is sourced from PubChem (CID 134191491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).