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

C22H30N6O3S — CID 155253506

IUPAC9-cyclopropyl-N-(1-methylsulfonylpiperidin-4-yl)-8-(oxolan-3-yl)-5,6-dihydropyrazolo[3,4-h]quinazolin-2-amine
SMILESCS(=O)(=O)N1CCC(Nc2ncc3c(n2)-c2c(nn(C4CCOC4)c2C2CC2)CC3)CC1
InChIInChI=1S/C22H30N6O3S/c1-32(29,30)27-9-6-16(7-10-27)24-22-23-12-15-4-5-18-19(20(15)25-22)21(14-2-3-14)28(26-18)17-8-11-31-13-17/h12,14,16-17H,2-11,13H2,1H3,(H,23,24,25)
InChIKeyIIMRJMQFEYXBTP-UHFFFAOYSA-N
MW458.59 g/mol
LogP2.11
Rot. Bonds5

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

9-cyclopropyl-N-(1-methylsulfonylpiperidin-4-yl)-8-(oxolan-3-yl)-5,6-dihydropyrazolo[3,4-h]quinazolin-2-amine (PubChem CID 155253506) has the molecular formula C22H30N6O3S and a molecular weight of 458.59 g/mol. Its IUPAC name is 9-cyclopropyl-N-(1-methylsulfonylpiperidin-4-yl)-8-(oxolan-3-yl)-5,6-dihydropyrazolo[3,4-h]quinazolin-2-amine.

Molecular Properties

Compound Name9-cyclopropyl-N-(1-methylsulfonylpiperidin-4-yl)-8-(oxolan-3-yl)-5,6-dihydropyrazolo[3,4-h]quinazolin-2-amine
PubChem CID155253506
Molecular FormulaC22H30N6O3S
Molecular Weight458.59 g/mol
Exact Mass458.21
IUPAC Name9-cyclopropyl-N-(1-methylsulfonylpiperidin-4-yl)-8-(oxolan-3-yl)-5,6-dihydropyrazolo[3,4-h]quinazolin-2-amine
SMILESCS(=O)(=O)N1CCC(Nc2ncc3c(n2)-c2c(nn(C4CCOC4)c2C2CC2)CC3)CC1
InChIInChI=1S/C22H30N6O3S/c1-32(29,30)27-9-6-16(7-10-27)24-22-23-12-15-4-5-18-19(20(15)25-22)21(14-2-3-14)28(26-18)17-8-11-31-13-17/h12,14,16-17H,2-11,13H2,1H3,(H,23,24,25)
InChIKeyIIMRJMQFEYXBTP-UHFFFAOYSA-N
XLogP2.11
TPSA102.24 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.59
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

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CID 155253546
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CID 155253552
CID 155253552
CID 137294777
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CID 148430397
CID 148430397
CID 154018073
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CID 155261904
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CID 155261906
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Frequently Asked Questions

What is the IUPAC name of 9-cyclopropyl-N-(1-methylsulfonylpiperidin-4-yl)-8-(oxolan-3-yl)-5,6-dihydropyrazolo[3,4-h]quinazolin-2-amine?
The IUPAC name of 9-cyclopropyl-N-(1-methylsulfonylpiperidin-4-yl)-8-(oxolan-3-yl)-5,6-dihydropyrazolo[3,4-h]quinazolin-2-amine (CID 155253506) is 9-cyclopropyl-N-(1-methylsulfonylpiperidin-4-yl)-8-(oxolan-3-yl)-5,6-dihydropyrazolo[3,4-h]quinazolin-2-amine.
What is the SMILES notation for 9-cyclopropyl-N-(1-methylsulfonylpiperidin-4-yl)-8-(oxolan-3-yl)-5,6-dihydropyrazolo[3,4-h]quinazolin-2-amine?
The canonical SMILES for 9-cyclopropyl-N-(1-methylsulfonylpiperidin-4-yl)-8-(oxolan-3-yl)-5,6-dihydropyrazolo[3,4-h]quinazolin-2-amine is CS(=O)(=O)N1CCC(Nc2ncc3c(n2)-c2c(nn(C4CCOC4)c2C2CC2)CC3)CC1.
What is the InChIKey of 9-cyclopropyl-N-(1-methylsulfonylpiperidin-4-yl)-8-(oxolan-3-yl)-5,6-dihydropyrazolo[3,4-h]quinazolin-2-amine?
The InChIKey is IIMRJMQFEYXBTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N6O3S/c1-32(29,30)27-9-6-16(7-10-27)24-22-23-12-15-4-5-18-19(20(15)25-22)21(14-2-3-14)28(26-18)17-8-11-31-13-17/h12,14,16-17H,2-11,13H2,1H3,(H,23,24,25).
What are the key properties of 9-cyclopropyl-N-(1-methylsulfonylpiperidin-4-yl)-8-(oxolan-3-yl)-5,6-dihydropyrazolo[3,4-h]quinazolin-2-amine?
9-cyclopropyl-N-(1-methylsulfonylpiperidin-4-yl)-8-(oxolan-3-yl)-5,6-dihydropyrazolo[3,4-h]quinazolin-2-amine has a molecular weight of 458.59 g/mol, XLogP of 2.11, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 9-cyclopropyl-N-(1-methylsulfonylpiperidin-4-yl)-8-(oxolan-3-yl)-5,6-dihydropyrazolo[3,4-h]quinazolin-2-amine is sourced from PubChem (CID 155253506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).