1-[8-amino-2-(2-hydroxyethyl)-4,4-dimethyl-5H-pyrazolo[4,3-h]quinazolin-3-yl]-2-(4-methyl-1,3-thiazol-2-yl)ethanone

C19H22N6O2S — CID 159620581

IUPAC1-[8-amino-2-(2-hydroxyethyl)-4,4-dimethyl-5H-pyrazolo[4,3-h]quinazolin-3-yl]-2-(4-methyl-1,3-thiazol-2-yl)ethanone
SMILESCc1csc(CC(=O)c2c3c(nn2CCO)-c2nc(N)ncc2CC3(C)C)n1
InChIInChI=1S/C19H22N6O2S/c1-10-9-28-13(22-10)6-12(27)17-14-16(24-25(17)4-5-26)15-11(7-19(14,2)3)8-21-18(20)23-15/h8-9,26H,4-7H2,1-3H3,(H2,20,21,23)
InChIKeyHQAFGRVBTFTKEF-UHFFFAOYSA-N
MW398.49 g/mol
LogP1.94
Rot. Bonds5

About 1-[8-amino-2-(2-hydroxyethyl)-4,4-dimethyl-5H-pyrazolo[4,3-h]quinazolin-3-yl]-2-(4-methyl-1,3-thiazol-2-yl)ethanone

1-[8-amino-2-(2-hydroxyethyl)-4,4-dimethyl-5H-pyrazolo[4,3-h]quinazolin-3-yl]-2-(4-methyl-1,3-thiazol-2-yl)ethanone (PubChem CID 159620581) has the molecular formula C19H22N6O2S and a molecular weight of 398.49 g/mol. Its IUPAC name is 1-[8-amino-2-(2-hydroxyethyl)-4,4-dimethyl-5H-pyrazolo[4,3-h]quinazolin-3-yl]-2-(4-methyl-1,3-thiazol-2-yl)ethanone.

Molecular Properties

Compound Name1-[8-amino-2-(2-hydroxyethyl)-4,4-dimethyl-5H-pyrazolo[4,3-h]quinazolin-3-yl]-2-(4-methyl-1,3-thiazol-2-yl)ethanone
PubChem CID159620581
Molecular FormulaC19H22N6O2S
Molecular Weight398.49 g/mol
Exact Mass398.15
IUPAC Name1-[8-amino-2-(2-hydroxyethyl)-4,4-dimethyl-5H-pyrazolo[4,3-h]quinazolin-3-yl]-2-(4-methyl-1,3-thiazol-2-yl)ethanone
SMILESCc1csc(CC(=O)c2c3c(nn2CCO)-c2nc(N)ncc2CC3(C)C)n1
InChIInChI=1S/C19H22N6O2S/c1-10-9-28-13(22-10)6-12(27)17-14-16(24-25(17)4-5-26)15-11(7-19(14,2)3)8-21-18(20)23-15/h8-9,26H,4-7H2,1-3H3,(H2,20,21,23)
InChIKeyHQAFGRVBTFTKEF-UHFFFAOYSA-N
XLogP1.94
TPSA119.81 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.49
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze 1-[8-amino-2-(2-hydroxyethyl)-4,4-dimethyl-5H-pyrazolo[4,3-h]quinazolin-3-yl]-2-(4-methyl-1,3-thiazol-2-yl)ethanone with MolForge

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Related Compounds

8-amino-4,4-dimethyl-N-(4-methyl-1,3-thiazol-2-yl)-2-[2-(oxan-2-yloxy)ethyl]-5H-pyrazolo[4,3-h]quinazoline-3-carboxamide
CID 137415295
2-(4-methyl-1,3-thiazol-2-yl)-1-(3-methyltriazol-4-yl)ethanone
CID 114685745
1-(4-chloro-1-methylpyrazol-5-yl)-2-(4-methyl-1,3-thiazol-2-yl)ethanone
CID 114639858
1-[4-bromo-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-2-(4-methyl-1,3-thiazol-2-yl)ethanone
CID 114639866
1-(2,2-dimethylcyclopropyl)-2-(4-methyl-1,3-thiazol-2-yl)ethanone
CID 107003979
1-(2-amino-1-methylcyclopentyl)-2-(4-methyl-1,3-thiazol-2-yl)ethanone
CID 116607345
2-(4-methyl-1,3-thiazol-2-yl)-1-(1-propylimidazol-2-yl)ethanone
CID 63975439
CID 131842856
CID 131842856
1-(1-methylcyclohexyl)-2-(4-methyl-1,3-thiazol-2-yl)ethanone
CID 106829673
2-(4-methyl-1,3-thiazol-2-yl)-1-pyridin-4-ylethanone
CID 112731545
1-(2-amino-5-methoxyphenyl)-2-(4-methyl-1,3-thiazol-2-yl)ethanone
CID 116602675
1-(furan-3-yl)-2-(4-methyl-1,3-thiazol-2-yl)ethanone
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Frequently Asked Questions

What is the IUPAC name of 1-[8-amino-2-(2-hydroxyethyl)-4,4-dimethyl-5H-pyrazolo[4,3-h]quinazolin-3-yl]-2-(4-methyl-1,3-thiazol-2-yl)ethanone?
The IUPAC name of 1-[8-amino-2-(2-hydroxyethyl)-4,4-dimethyl-5H-pyrazolo[4,3-h]quinazolin-3-yl]-2-(4-methyl-1,3-thiazol-2-yl)ethanone (CID 159620581) is 1-[8-amino-2-(2-hydroxyethyl)-4,4-dimethyl-5H-pyrazolo[4,3-h]quinazolin-3-yl]-2-(4-methyl-1,3-thiazol-2-yl)ethanone.
What is the SMILES notation for 1-[8-amino-2-(2-hydroxyethyl)-4,4-dimethyl-5H-pyrazolo[4,3-h]quinazolin-3-yl]-2-(4-methyl-1,3-thiazol-2-yl)ethanone?
The canonical SMILES for 1-[8-amino-2-(2-hydroxyethyl)-4,4-dimethyl-5H-pyrazolo[4,3-h]quinazolin-3-yl]-2-(4-methyl-1,3-thiazol-2-yl)ethanone is Cc1csc(CC(=O)c2c3c(nn2CCO)-c2nc(N)ncc2CC3(C)C)n1.
What is the InChIKey of 1-[8-amino-2-(2-hydroxyethyl)-4,4-dimethyl-5H-pyrazolo[4,3-h]quinazolin-3-yl]-2-(4-methyl-1,3-thiazol-2-yl)ethanone?
The InChIKey is HQAFGRVBTFTKEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N6O2S/c1-10-9-28-13(22-10)6-12(27)17-14-16(24-25(17)4-5-26)15-11(7-19(14,2)3)8-21-18(20)23-15/h8-9,26H,4-7H2,1-3H3,(H2,20,21,23).
What are the key properties of 1-[8-amino-2-(2-hydroxyethyl)-4,4-dimethyl-5H-pyrazolo[4,3-h]quinazolin-3-yl]-2-(4-methyl-1,3-thiazol-2-yl)ethanone?
1-[8-amino-2-(2-hydroxyethyl)-4,4-dimethyl-5H-pyrazolo[4,3-h]quinazolin-3-yl]-2-(4-methyl-1,3-thiazol-2-yl)ethanone has a molecular weight of 398.49 g/mol, XLogP of 1.94, 5 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[8-amino-2-(2-hydroxyethyl)-4,4-dimethyl-5H-pyrazolo[4,3-h]quinazolin-3-yl]-2-(4-methyl-1,3-thiazol-2-yl)ethanone is sourced from PubChem (CID 159620581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).