8-methyl-N-(1-methylsulfonylpiperidin-4-yl)-9-propan-2-yl-5,6-dihydropyrazolo[3,4-h]quinazolin-2-amine

C19H28N6O2S — CID 155253535

IUPAC8-methyl-N-(1-methylsulfonylpiperidin-4-yl)-9-propan-2-yl-5,6-dihydropyrazolo[3,4-h]quinazolin-2-amine
SMILESCC(C)c1c2c(nn1C)CCc1cnc(NC3CCN(S(C)(=O)=O)CC3)nc1-2
InChIInChI=1S/C19H28N6O2S/c1-12(2)18-16-15(23-24(18)3)6-5-13-11-20-19(22-17(13)16)21-14-7-9-25(10-8-14)28(4,26)27/h11-12,14H,5-10H2,1-4H3,(H,20,21,22)
InChIKeyCDULNVCSUKYBOR-UHFFFAOYSA-N
MW404.54 g/mol
LogP1.93
Rot. Bonds4

About 8-methyl-N-(1-methylsulfonylpiperidin-4-yl)-9-propan-2-yl-5,6-dihydropyrazolo[3,4-h]quinazolin-2-amine

8-methyl-N-(1-methylsulfonylpiperidin-4-yl)-9-propan-2-yl-5,6-dihydropyrazolo[3,4-h]quinazolin-2-amine (PubChem CID 155253535) has the molecular formula C19H28N6O2S and a molecular weight of 404.54 g/mol. Its IUPAC name is 8-methyl-N-(1-methylsulfonylpiperidin-4-yl)-9-propan-2-yl-5,6-dihydropyrazolo[3,4-h]quinazolin-2-amine.

Molecular Properties

Compound Name8-methyl-N-(1-methylsulfonylpiperidin-4-yl)-9-propan-2-yl-5,6-dihydropyrazolo[3,4-h]quinazolin-2-amine
PubChem CID155253535
Molecular FormulaC19H28N6O2S
Molecular Weight404.54 g/mol
Exact Mass404.20
IUPAC Name8-methyl-N-(1-methylsulfonylpiperidin-4-yl)-9-propan-2-yl-5,6-dihydropyrazolo[3,4-h]quinazolin-2-amine
SMILESCC(C)c1c2c(nn1C)CCc1cnc(NC3CCN(S(C)(=O)=O)CC3)nc1-2
InChIInChI=1S/C19H28N6O2S/c1-12(2)18-16-15(23-24(18)3)6-5-13-11-20-19(22-17(13)16)21-14-7-9-25(10-8-14)28(4,26)27/h11-12,14H,5-10H2,1-4H3,(H,20,21,22)
InChIKeyCDULNVCSUKYBOR-UHFFFAOYSA-N
XLogP1.93
TPSA93.01 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.54
LogP ≤ 51.93
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)-9-propan-2-yl-5,6-dihydropyrazolo[3,4-h]quinazolin-2-amine?
The IUPAC name of 8-methyl-N-(1-methylsulfonylpiperidin-4-yl)-9-propan-2-yl-5,6-dihydropyrazolo[3,4-h]quinazolin-2-amine (CID 155253535) is 8-methyl-N-(1-methylsulfonylpiperidin-4-yl)-9-propan-2-yl-5,6-dihydropyrazolo[3,4-h]quinazolin-2-amine.
What is the SMILES notation for 8-methyl-N-(1-methylsulfonylpiperidin-4-yl)-9-propan-2-yl-5,6-dihydropyrazolo[3,4-h]quinazolin-2-amine?
The canonical SMILES for 8-methyl-N-(1-methylsulfonylpiperidin-4-yl)-9-propan-2-yl-5,6-dihydropyrazolo[3,4-h]quinazolin-2-amine is CC(C)c1c2c(nn1C)CCc1cnc(NC3CCN(S(C)(=O)=O)CC3)nc1-2.
What is the InChIKey of 8-methyl-N-(1-methylsulfonylpiperidin-4-yl)-9-propan-2-yl-5,6-dihydropyrazolo[3,4-h]quinazolin-2-amine?
The InChIKey is CDULNVCSUKYBOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N6O2S/c1-12(2)18-16-15(23-24(18)3)6-5-13-11-20-19(22-17(13)16)21-14-7-9-25(10-8-14)28(4,26)27/h11-12,14H,5-10H2,1-4H3,(H,20,21,22).
What are the key properties of 8-methyl-N-(1-methylsulfonylpiperidin-4-yl)-9-propan-2-yl-5,6-dihydropyrazolo[3,4-h]quinazolin-2-amine?
8-methyl-N-(1-methylsulfonylpiperidin-4-yl)-9-propan-2-yl-5,6-dihydropyrazolo[3,4-h]quinazolin-2-amine has a molecular weight of 404.54 g/mol, XLogP of 1.93, 4 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)-9-propan-2-yl-5,6-dihydropyrazolo[3,4-h]quinazolin-2-amine is sourced from PubChem (CID 155253535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).