N-[3-methyl-1-(oxan-4-yl)pyrazol-4-yl]-8-methylsulfonyl-3H-pyrazolo[5,4-c]quinolin-4-amine

C20H22N6O3S — CID 90103974

IUPACN-[3-methyl-1-(oxan-4-yl)pyrazol-4-yl]-8-methylsulfonyl-3H-pyrazolo[5,4-c]quinolin-4-amine
SMILESCc1nn(C2CCOCC2)cc1Nc1nc2ccc(S(C)(=O)=O)cc2c2cn[nH]c12
InChIInChI=1S/C20H22N6O3S/c1-12-18(11-26(25-12)13-5-7-29-8-6-13)23-20-19-16(10-21-24-19)15-9-14(30(2,27)28)3-4-17(15)22-20/h3-4,9-11,13H,5-8H2,1-2H3,(H,21,24)(H,22,23)
InChIKeyVYPLYASMBXGTCR-UHFFFAOYSA-N
MW426.50 g/mol
LogP3.11
Rot. Bonds4

About N-[3-methyl-1-(oxan-4-yl)pyrazol-4-yl]-8-methylsulfonyl-3H-pyrazolo[5,4-c]quinolin-4-amine

N-[3-methyl-1-(oxan-4-yl)pyrazol-4-yl]-8-methylsulfonyl-3H-pyrazolo[5,4-c]quinolin-4-amine (PubChem CID 90103974) has the molecular formula C20H22N6O3S and a molecular weight of 426.50 g/mol. Its IUPAC name is N-[3-methyl-1-(oxan-4-yl)pyrazol-4-yl]-8-methylsulfonyl-3H-pyrazolo[5,4-c]quinolin-4-amine.

Molecular Properties

Compound NameN-[3-methyl-1-(oxan-4-yl)pyrazol-4-yl]-8-methylsulfonyl-3H-pyrazolo[5,4-c]quinolin-4-amine
PubChem CID90103974
Molecular FormulaC20H22N6O3S
Molecular Weight426.50 g/mol
Exact Mass426.15
IUPAC NameN-[3-methyl-1-(oxan-4-yl)pyrazol-4-yl]-8-methylsulfonyl-3H-pyrazolo[5,4-c]quinolin-4-amine
SMILESCc1nn(C2CCOCC2)cc1Nc1nc2ccc(S(C)(=O)=O)cc2c2cn[nH]c12
InChIInChI=1S/C20H22N6O3S/c1-12-18(11-26(25-12)13-5-7-29-8-6-13)23-20-19-16(10-21-24-19)15-9-14(30(2,27)28)3-4-17(15)22-20/h3-4,9-11,13H,5-8H2,1-2H3,(H,21,24)(H,22,23)
InChIKeyVYPLYASMBXGTCR-UHFFFAOYSA-N
XLogP3.11
TPSA114.79 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.50
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[3-methyl-1-(oxan-4-yl)pyrazol-4-yl]-8-methylsulfonyl-3H-pyrazolo[5,4-c]quinolin-4-amine?
The IUPAC name of N-[3-methyl-1-(oxan-4-yl)pyrazol-4-yl]-8-methylsulfonyl-3H-pyrazolo[5,4-c]quinolin-4-amine (CID 90103974) is N-[3-methyl-1-(oxan-4-yl)pyrazol-4-yl]-8-methylsulfonyl-3H-pyrazolo[5,4-c]quinolin-4-amine.
What is the SMILES notation for N-[3-methyl-1-(oxan-4-yl)pyrazol-4-yl]-8-methylsulfonyl-3H-pyrazolo[5,4-c]quinolin-4-amine?
The canonical SMILES for N-[3-methyl-1-(oxan-4-yl)pyrazol-4-yl]-8-methylsulfonyl-3H-pyrazolo[5,4-c]quinolin-4-amine is Cc1nn(C2CCOCC2)cc1Nc1nc2ccc(S(C)(=O)=O)cc2c2cn[nH]c12.
What is the InChIKey of N-[3-methyl-1-(oxan-4-yl)pyrazol-4-yl]-8-methylsulfonyl-3H-pyrazolo[5,4-c]quinolin-4-amine?
The InChIKey is VYPLYASMBXGTCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N6O3S/c1-12-18(11-26(25-12)13-5-7-29-8-6-13)23-20-19-16(10-21-24-19)15-9-14(30(2,27)28)3-4-17(15)22-20/h3-4,9-11,13H,5-8H2,1-2H3,(H,21,24)(H,22,23).
What are the key properties of N-[3-methyl-1-(oxan-4-yl)pyrazol-4-yl]-8-methylsulfonyl-3H-pyrazolo[5,4-c]quinolin-4-amine?
N-[3-methyl-1-(oxan-4-yl)pyrazol-4-yl]-8-methylsulfonyl-3H-pyrazolo[5,4-c]quinolin-4-amine has a molecular weight of 426.50 g/mol, XLogP of 3.11, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-methyl-1-(oxan-4-yl)pyrazol-4-yl]-8-methylsulfonyl-3H-pyrazolo[5,4-c]quinolin-4-amine is sourced from PubChem (CID 90103974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).