3-(5-isoquinolin-1-yl-1H-pyrazolo[4,3-d]pyrimidin-3-yl)-1,2-oxazole

C17H10N6O — CID 141021000

IUPAC3-(5-isoquinolin-1-yl-1H-pyrazolo[4,3-d]pyrimidin-3-yl)-1,2-oxazole
SMILESc1ccc2c(-c3ncc4[nH]nc(-c5ccon5)c4n3)nccc2c1
InChIInChI=1S/C17H10N6O/c1-2-4-11-10(3-1)5-7-18-14(11)17-19-9-13-15(20-17)16(22-21-13)12-6-8-24-23-12/h1-9H,(H,21,22)
InChIKeyNIXFHKUHHFFVPS-UHFFFAOYSA-N
MW314.31 g/mol
LogP3.22
Rot. Bonds2

About 3-(5-isoquinolin-1-yl-1H-pyrazolo[4,3-d]pyrimidin-3-yl)-1,2-oxazole

3-(5-isoquinolin-1-yl-1H-pyrazolo[4,3-d]pyrimidin-3-yl)-1,2-oxazole (PubChem CID 141021000) has the molecular formula C17H10N6O and a molecular weight of 314.31 g/mol. Its IUPAC name is 3-(5-isoquinolin-1-yl-1H-pyrazolo[4,3-d]pyrimidin-3-yl)-1,2-oxazole.

Molecular Properties

Compound Name3-(5-isoquinolin-1-yl-1H-pyrazolo[4,3-d]pyrimidin-3-yl)-1,2-oxazole
PubChem CID141021000
Molecular FormulaC17H10N6O
Molecular Weight314.31 g/mol
Exact Mass314.09
IUPAC Name3-(5-isoquinolin-1-yl-1H-pyrazolo[4,3-d]pyrimidin-3-yl)-1,2-oxazole
SMILESc1ccc2c(-c3ncc4[nH]nc(-c5ccon5)c4n3)nccc2c1
InChIInChI=1S/C17H10N6O/c1-2-4-11-10(3-1)5-7-18-14(11)17-19-9-13-15(20-17)16(22-21-13)12-6-8-24-23-12/h1-9H,(H,21,22)
InChIKeyNIXFHKUHHFFVPS-UHFFFAOYSA-N
XLogP3.22
TPSA93.38 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.31
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

S-8510
CID 135409387
3-(3H-imidazo[4,5-c]quinolin-2-yl)-1,2-oxazole
CID 135452014
3-(6,7,8,9-tetrahydro-3H-imidazo[4,5-c]quinolin-2-yl)-1,2-oxazole
CID 135433769
3-[3-[4-(3,4-dihydro-1H-isoquinolin-2-yl)-5-fluoropyrimidin-2-yl]-1-[(2-fluorophenyl)methyl]pyrazol-5-yl]-1,2-oxazole
CID 90445977
5-[[2-(2,3-difluorophenyl)-6H-imidazo[4,5-d]pyridazin-5-yl]methyl]-3-[6-(trifluoromethyl)-3-pyridyl]isoxazole
CID 86575981
3-[2-[(2-Fluorophenyl)methyl]-5-[5-fluoro-4-[3-(trifluoromethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]pyrimidin-2-yl]pyrazol-3-yl]-1,2-oxazole
CID 118233447
3,5-Dimethyl-4-[3-(1-methylpyrazol-4-yl)-1-(pyrimidin-2-ylmethyl)pyrrolo[3,2-b]pyridin-6-yl]isoxazole
CID 118059510
US10772893, Example 112
CID 118869179
4-(3,5-dimethyl-1,2-oxazol-4-yl)-2-(morpholin-4-yl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridine
CID 122585631
3,5-dimethyl-4-[3-(2-methylphenyl)-2H-pyrazolo[3,4-b]pyrazin-5-yl]-1,2-oxazole
CID 134809755
2-[1-[(2-Fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]-5-pyridin-3-ylpyrimidin-4-amine
CID 56597271
2-[1-[(2-Fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]pyrimidine-4,5-diamine
CID 66634027

Frequently Asked Questions

What is the IUPAC name of 3-(5-isoquinolin-1-yl-1H-pyrazolo[4,3-d]pyrimidin-3-yl)-1,2-oxazole?
The IUPAC name of 3-(5-isoquinolin-1-yl-1H-pyrazolo[4,3-d]pyrimidin-3-yl)-1,2-oxazole (CID 141021000) is 3-(5-isoquinolin-1-yl-1H-pyrazolo[4,3-d]pyrimidin-3-yl)-1,2-oxazole.
What is the SMILES notation for 3-(5-isoquinolin-1-yl-1H-pyrazolo[4,3-d]pyrimidin-3-yl)-1,2-oxazole?
The canonical SMILES for 3-(5-isoquinolin-1-yl-1H-pyrazolo[4,3-d]pyrimidin-3-yl)-1,2-oxazole is c1ccc2c(-c3ncc4[nH]nc(-c5ccon5)c4n3)nccc2c1.
What is the InChIKey of 3-(5-isoquinolin-1-yl-1H-pyrazolo[4,3-d]pyrimidin-3-yl)-1,2-oxazole?
The InChIKey is NIXFHKUHHFFVPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H10N6O/c1-2-4-11-10(3-1)5-7-18-14(11)17-19-9-13-15(20-17)16(22-21-13)12-6-8-24-23-12/h1-9H,(H,21,22).
What are the key properties of 3-(5-isoquinolin-1-yl-1H-pyrazolo[4,3-d]pyrimidin-3-yl)-1,2-oxazole?
3-(5-isoquinolin-1-yl-1H-pyrazolo[4,3-d]pyrimidin-3-yl)-1,2-oxazole has a molecular weight of 314.31 g/mol, XLogP of 3.22, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-isoquinolin-1-yl-1H-pyrazolo[4,3-d]pyrimidin-3-yl)-1,2-oxazole is sourced from PubChem (CID 141021000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).