8-methyl-N-(1-methylsulfonylpiperidin-4-yl)-5,6-dihydropyrazolo[3,4-h]quinazolin-2-amine

C16H22N6O2S — CID 155253499

IUPAC8-methyl-N-(1-methylsulfonylpiperidin-4-yl)-5,6-dihydropyrazolo[3,4-h]quinazolin-2-amine
SMILESCn1cc2c(n1)CCc1cnc(NC3CCN(S(C)(=O)=O)CC3)nc1-2
InChIInChI=1S/C16H22N6O2S/c1-21-10-13-14(20-21)4-3-11-9-17-16(19-15(11)13)18-12-5-7-22(8-6-12)25(2,23)24/h9-10,12H,3-8H2,1-2H3,(H,17,18,19)
InChIKeyAWORGDILAUUREF-UHFFFAOYSA-N
MW362.46 g/mol
LogP0.81
Rot. Bonds3

About 8-methyl-N-(1-methylsulfonylpiperidin-4-yl)-5,6-dihydropyrazolo[3,4-h]quinazolin-2-amine

8-methyl-N-(1-methylsulfonylpiperidin-4-yl)-5,6-dihydropyrazolo[3,4-h]quinazolin-2-amine (PubChem CID 155253499) has the molecular formula C16H22N6O2S and a molecular weight of 362.46 g/mol. Its IUPAC name is 8-methyl-N-(1-methylsulfonylpiperidin-4-yl)-5,6-dihydropyrazolo[3,4-h]quinazolin-2-amine.

Molecular Properties

Compound Name8-methyl-N-(1-methylsulfonylpiperidin-4-yl)-5,6-dihydropyrazolo[3,4-h]quinazolin-2-amine
PubChem CID155253499
Molecular FormulaC16H22N6O2S
Molecular Weight362.46 g/mol
Exact Mass362.15
IUPAC Name8-methyl-N-(1-methylsulfonylpiperidin-4-yl)-5,6-dihydropyrazolo[3,4-h]quinazolin-2-amine
SMILESCn1cc2c(n1)CCc1cnc(NC3CCN(S(C)(=O)=O)CC3)nc1-2
InChIInChI=1S/C16H22N6O2S/c1-21-10-13-14(20-21)4-3-11-9-17-16(19-15(11)13)18-12-5-7-22(8-6-12)25(2,23)24/h9-10,12H,3-8H2,1-2H3,(H,17,18,19)
InChIKeyAWORGDILAUUREF-UHFFFAOYSA-N
XLogP0.81
TPSA93.01 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.46
LogP ≤ 50.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 8-methyl-N-(1-methylsulfonylpiperidin-4-yl)-5,6-dihydropyrazolo[3,4-h]quinazolin-2-amine?
The IUPAC name of 8-methyl-N-(1-methylsulfonylpiperidin-4-yl)-5,6-dihydropyrazolo[3,4-h]quinazolin-2-amine (CID 155253499) is 8-methyl-N-(1-methylsulfonylpiperidin-4-yl)-5,6-dihydropyrazolo[3,4-h]quinazolin-2-amine.
What is the SMILES notation for 8-methyl-N-(1-methylsulfonylpiperidin-4-yl)-5,6-dihydropyrazolo[3,4-h]quinazolin-2-amine?
The canonical SMILES for 8-methyl-N-(1-methylsulfonylpiperidin-4-yl)-5,6-dihydropyrazolo[3,4-h]quinazolin-2-amine is Cn1cc2c(n1)CCc1cnc(NC3CCN(S(C)(=O)=O)CC3)nc1-2.
What is the InChIKey of 8-methyl-N-(1-methylsulfonylpiperidin-4-yl)-5,6-dihydropyrazolo[3,4-h]quinazolin-2-amine?
The InChIKey is AWORGDILAUUREF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N6O2S/c1-21-10-13-14(20-21)4-3-11-9-17-16(19-15(11)13)18-12-5-7-22(8-6-12)25(2,23)24/h9-10,12H,3-8H2,1-2H3,(H,17,18,19).
What are the key properties of 8-methyl-N-(1-methylsulfonylpiperidin-4-yl)-5,6-dihydropyrazolo[3,4-h]quinazolin-2-amine?
8-methyl-N-(1-methylsulfonylpiperidin-4-yl)-5,6-dihydropyrazolo[3,4-h]quinazolin-2-amine has a molecular weight of 362.46 g/mol, XLogP of 0.81, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methyl-N-(1-methylsulfonylpiperidin-4-yl)-5,6-dihydropyrazolo[3,4-h]quinazolin-2-amine is sourced from PubChem (CID 155253499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).