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

C19H26N6O2S — CID 155253552

IUPAC9-cyclopropyl-8-methyl-N-(1-methylsulfonylpiperidin-4-yl)-5,6-dihydropyrazolo[3,4-h]quinazolin-2-amine
SMILESCn1nc2c(c1C1CC1)-c1nc(NC3CCN(S(C)(=O)=O)CC3)ncc1CC2
InChIInChI=1S/C19H26N6O2S/c1-24-18(12-3-4-12)16-15(23-24)6-5-13-11-20-19(22-17(13)16)21-14-7-9-25(10-8-14)28(2,26)27/h11-12,14H,3-10H2,1-2H3,(H,20,21,22)
InChIKeyPTTDTBLTNTVRAW-UHFFFAOYSA-N
MW402.52 g/mol
LogP1.69
Rot. Bonds4

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

9-cyclopropyl-8-methyl-N-(1-methylsulfonylpiperidin-4-yl)-5,6-dihydropyrazolo[3,4-h]quinazolin-2-amine (PubChem CID 155253552) has the molecular formula C19H26N6O2S and a molecular weight of 402.52 g/mol. Its IUPAC name is 9-cyclopropyl-8-methyl-N-(1-methylsulfonylpiperidin-4-yl)-5,6-dihydropyrazolo[3,4-h]quinazolin-2-amine.

Molecular Properties

Compound Name9-cyclopropyl-8-methyl-N-(1-methylsulfonylpiperidin-4-yl)-5,6-dihydropyrazolo[3,4-h]quinazolin-2-amine
PubChem CID155253552
Molecular FormulaC19H26N6O2S
Molecular Weight402.52 g/mol
Exact Mass402.18
IUPAC Name9-cyclopropyl-8-methyl-N-(1-methylsulfonylpiperidin-4-yl)-5,6-dihydropyrazolo[3,4-h]quinazolin-2-amine
SMILESCn1nc2c(c1C1CC1)-c1nc(NC3CCN(S(C)(=O)=O)CC3)ncc1CC2
InChIInChI=1S/C19H26N6O2S/c1-24-18(12-3-4-12)16-15(23-24)6-5-13-11-20-19(22-17(13)16)21-14-7-9-25(10-8-14)28(2,26)27/h11-12,14H,3-10H2,1-2H3,(H,20,21,22)
InChIKeyPTTDTBLTNTVRAW-UHFFFAOYSA-N
XLogP1.69
TPSA93.01 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.52
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 9-cyclopropyl-8-methyl-N-(1-methylsulfonylpiperidin-4-yl)-5,6-dihydropyrazolo[3,4-h]quinazolin-2-amine?
The IUPAC name of 9-cyclopropyl-8-methyl-N-(1-methylsulfonylpiperidin-4-yl)-5,6-dihydropyrazolo[3,4-h]quinazolin-2-amine (CID 155253552) is 9-cyclopropyl-8-methyl-N-(1-methylsulfonylpiperidin-4-yl)-5,6-dihydropyrazolo[3,4-h]quinazolin-2-amine.
What is the SMILES notation for 9-cyclopropyl-8-methyl-N-(1-methylsulfonylpiperidin-4-yl)-5,6-dihydropyrazolo[3,4-h]quinazolin-2-amine?
The canonical SMILES for 9-cyclopropyl-8-methyl-N-(1-methylsulfonylpiperidin-4-yl)-5,6-dihydropyrazolo[3,4-h]quinazolin-2-amine is Cn1nc2c(c1C1CC1)-c1nc(NC3CCN(S(C)(=O)=O)CC3)ncc1CC2.
What is the InChIKey of 9-cyclopropyl-8-methyl-N-(1-methylsulfonylpiperidin-4-yl)-5,6-dihydropyrazolo[3,4-h]quinazolin-2-amine?
The InChIKey is PTTDTBLTNTVRAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N6O2S/c1-24-18(12-3-4-12)16-15(23-24)6-5-13-11-20-19(22-17(13)16)21-14-7-9-25(10-8-14)28(2,26)27/h11-12,14H,3-10H2,1-2H3,(H,20,21,22).
What are the key properties of 9-cyclopropyl-8-methyl-N-(1-methylsulfonylpiperidin-4-yl)-5,6-dihydropyrazolo[3,4-h]quinazolin-2-amine?
9-cyclopropyl-8-methyl-N-(1-methylsulfonylpiperidin-4-yl)-5,6-dihydropyrazolo[3,4-h]quinazolin-2-amine has a molecular weight of 402.52 g/mol, XLogP of 1.69, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 9-cyclopropyl-8-methyl-N-(1-methylsulfonylpiperidin-4-yl)-5,6-dihydropyrazolo[3,4-h]quinazolin-2-amine is sourced from PubChem (CID 155253552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).