3-ethyl-N-[1-(oxan-2-yl)pyrazolo[4,3-b]pyridin-3-yl]isoquinolin-6-amine

C22H23N5O — CID 134191758

IUPAC3-ethyl-N-[1-(oxan-2-yl)pyrazolo[4,3-b]pyridin-3-yl]isoquinolin-6-amine
SMILESCCc1cc2cc(Nc3nn(C4CCCCO4)c4cccnc34)ccc2cn1
InChIInChI=1S/C22H23N5O/c1-2-17-12-16-13-18(9-8-15(16)14-24-17)25-22-21-19(6-5-10-23-21)27(26-22)20-7-3-4-11-28-20/h5-6,8-10,12-14,20H,2-4,7,11H2,1H3,(H,25,26)
InChIKeyARSQBWZQNUPXFK-UHFFFAOYSA-N
MW373.46 g/mol
LogP4.98
Rot. Bonds4

About 3-ethyl-N-[1-(oxan-2-yl)pyrazolo[4,3-b]pyridin-3-yl]isoquinolin-6-amine

3-ethyl-N-[1-(oxan-2-yl)pyrazolo[4,3-b]pyridin-3-yl]isoquinolin-6-amine (PubChem CID 134191758) has the molecular formula C22H23N5O and a molecular weight of 373.46 g/mol. Its IUPAC name is 3-ethyl-N-[1-(oxan-2-yl)pyrazolo[4,3-b]pyridin-3-yl]isoquinolin-6-amine.

Molecular Properties

Compound Name3-ethyl-N-[1-(oxan-2-yl)pyrazolo[4,3-b]pyridin-3-yl]isoquinolin-6-amine
PubChem CID134191758
Molecular FormulaC22H23N5O
Molecular Weight373.46 g/mol
Exact Mass373.19
IUPAC Name3-ethyl-N-[1-(oxan-2-yl)pyrazolo[4,3-b]pyridin-3-yl]isoquinolin-6-amine
SMILESCCc1cc2cc(Nc3nn(C4CCCCO4)c4cccnc34)ccc2cn1
InChIInChI=1S/C22H23N5O/c1-2-17-12-16-13-18(9-8-15(16)14-24-17)25-22-21-19(6-5-10-23-21)27(26-22)20-7-3-4-11-28-20/h5-6,8-10,12-14,20H,2-4,7,11H2,1H3,(H,25,26)
InChIKeyARSQBWZQNUPXFK-UHFFFAOYSA-N
XLogP4.98
TPSA64.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.46
LogP ≤ 54.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 3-ethyl-N-[1-(oxan-2-yl)pyrazolo[4,3-b]pyridin-3-yl]isoquinolin-6-amine with MolForge

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Related Compounds

5-[(5S,7R)-3-fluoranyl-7-(2-methylpyridin-3-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-5-yl]quinolin-2-amine
CID 156022479
7-[3-(4-Methylpiperazin-1-yl)phenyl]-5-[2-(oxan-4-yl)pyrazol-3-yl]pyrrolo[2,1-f][1,2,4]triazin-4-amine
CID 130363418
N-[4-(3-amino-1-methyl-1H-pyrazolo[3,4-c]pyridin-4-yl)phenyl]-N'-(3-methylphenyl)urea
CID 11588815
5-[2-(oxan-4-yl)pyrazol-3-yl]-7-[3-[(2S,6R)-2,4,6-trimethylpiperazin-1-yl]phenyl]pyrrolo[2,1-f][1,2,4]triazin-4-amine
CID 132209885
US10227343, Example 44
CID 134191470
US10227343, Example 53
CID 134191511
US10227343, Example 73
CID 134191531
N-(1H-pyrazolo[4,3-b] pyridin-3-yl)isoquinolin-6-amine
CID 134191536
1-N-cyclobutyl-6-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinoline-1,6-diamine
CID 134191541
1-(3-methylpyrazol-1-yl)-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine
CID 134191580
US10227343, Example 74
CID 134191590
US10227343, Example 81
CID 134191605

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-N-[1-(oxan-2-yl)pyrazolo[4,3-b]pyridin-3-yl]isoquinolin-6-amine?
The IUPAC name of 3-ethyl-N-[1-(oxan-2-yl)pyrazolo[4,3-b]pyridin-3-yl]isoquinolin-6-amine (CID 134191758) is 3-ethyl-N-[1-(oxan-2-yl)pyrazolo[4,3-b]pyridin-3-yl]isoquinolin-6-amine.
What is the SMILES notation for 3-ethyl-N-[1-(oxan-2-yl)pyrazolo[4,3-b]pyridin-3-yl]isoquinolin-6-amine?
The canonical SMILES for 3-ethyl-N-[1-(oxan-2-yl)pyrazolo[4,3-b]pyridin-3-yl]isoquinolin-6-amine is CCc1cc2cc(Nc3nn(C4CCCCO4)c4cccnc34)ccc2cn1.
What is the InChIKey of 3-ethyl-N-[1-(oxan-2-yl)pyrazolo[4,3-b]pyridin-3-yl]isoquinolin-6-amine?
The InChIKey is ARSQBWZQNUPXFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N5O/c1-2-17-12-16-13-18(9-8-15(16)14-24-17)25-22-21-19(6-5-10-23-21)27(26-22)20-7-3-4-11-28-20/h5-6,8-10,12-14,20H,2-4,7,11H2,1H3,(H,25,26).
What are the key properties of 3-ethyl-N-[1-(oxan-2-yl)pyrazolo[4,3-b]pyridin-3-yl]isoquinolin-6-amine?
3-ethyl-N-[1-(oxan-2-yl)pyrazolo[4,3-b]pyridin-3-yl]isoquinolin-6-amine has a molecular weight of 373.46 g/mol, XLogP of 4.98, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-N-[1-(oxan-2-yl)pyrazolo[4,3-b]pyridin-3-yl]isoquinolin-6-amine is sourced from PubChem (CID 134191758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).