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

C19H26N6OS — CID 155261904

IUPAC9-cyclopropyl-8-methyl-N-(1-methylsulfinylpiperidin-4-yl)-5,6-dihydropyrazolo[3,4-h]quinazolin-2-amine
SMILESCn1nc2c(c1C1CC1)-c1nc(NC3CCN(S(C)=O)CC3)ncc1CC2
InChIInChI=1S/C19H26N6OS/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)27(2)26/h11-12,14H,3-10H2,1-2H3,(H,20,21,22)
InChIKeyNGZMLEUZQPNWTD-UHFFFAOYSA-N
MW386.53 g/mol
LogP2.02
Rot. Bonds4

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

9-cyclopropyl-8-methyl-N-(1-methylsulfinylpiperidin-4-yl)-5,6-dihydropyrazolo[3,4-h]quinazolin-2-amine (PubChem CID 155261904) has the molecular formula C19H26N6OS and a molecular weight of 386.53 g/mol. Its IUPAC name is 9-cyclopropyl-8-methyl-N-(1-methylsulfinylpiperidin-4-yl)-5,6-dihydropyrazolo[3,4-h]quinazolin-2-amine.

Molecular Properties

Compound Name9-cyclopropyl-8-methyl-N-(1-methylsulfinylpiperidin-4-yl)-5,6-dihydropyrazolo[3,4-h]quinazolin-2-amine
PubChem CID155261904
Molecular FormulaC19H26N6OS
Molecular Weight386.53 g/mol
Exact Mass386.19
IUPAC Name9-cyclopropyl-8-methyl-N-(1-methylsulfinylpiperidin-4-yl)-5,6-dihydropyrazolo[3,4-h]quinazolin-2-amine
SMILESCn1nc2c(c1C1CC1)-c1nc(NC3CCN(S(C)=O)CC3)ncc1CC2
InChIInChI=1S/C19H26N6OS/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)27(2)26/h11-12,14H,3-10H2,1-2H3,(H,20,21,22)
InChIKeyNGZMLEUZQPNWTD-UHFFFAOYSA-N
XLogP2.02
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.53
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

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CID 68059659
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CID 68059668
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CID 68059669
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CID 68060000
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CID 68060156

Frequently Asked Questions

What is the IUPAC name of 9-cyclopropyl-8-methyl-N-(1-methylsulfinylpiperidin-4-yl)-5,6-dihydropyrazolo[3,4-h]quinazolin-2-amine?
The IUPAC name of 9-cyclopropyl-8-methyl-N-(1-methylsulfinylpiperidin-4-yl)-5,6-dihydropyrazolo[3,4-h]quinazolin-2-amine (CID 155261904) is 9-cyclopropyl-8-methyl-N-(1-methylsulfinylpiperidin-4-yl)-5,6-dihydropyrazolo[3,4-h]quinazolin-2-amine.
What is the SMILES notation for 9-cyclopropyl-8-methyl-N-(1-methylsulfinylpiperidin-4-yl)-5,6-dihydropyrazolo[3,4-h]quinazolin-2-amine?
The canonical SMILES for 9-cyclopropyl-8-methyl-N-(1-methylsulfinylpiperidin-4-yl)-5,6-dihydropyrazolo[3,4-h]quinazolin-2-amine is Cn1nc2c(c1C1CC1)-c1nc(NC3CCN(S(C)=O)CC3)ncc1CC2.
What is the InChIKey of 9-cyclopropyl-8-methyl-N-(1-methylsulfinylpiperidin-4-yl)-5,6-dihydropyrazolo[3,4-h]quinazolin-2-amine?
The InChIKey is NGZMLEUZQPNWTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N6OS/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)27(2)26/h11-12,14H,3-10H2,1-2H3,(H,20,21,22).
What are the key properties of 9-cyclopropyl-8-methyl-N-(1-methylsulfinylpiperidin-4-yl)-5,6-dihydropyrazolo[3,4-h]quinazolin-2-amine?
9-cyclopropyl-8-methyl-N-(1-methylsulfinylpiperidin-4-yl)-5,6-dihydropyrazolo[3,4-h]quinazolin-2-amine has a molecular weight of 386.53 g/mol, XLogP of 2.02, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 9-cyclopropyl-8-methyl-N-(1-methylsulfinylpiperidin-4-yl)-5,6-dihydropyrazolo[3,4-h]quinazolin-2-amine is sourced from PubChem (CID 155261904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).