3-[[(3R)-1,3-dimethyl-4-(1-methylpiperidin-4-yl)-2-oxo-3H-pyrido[2,3-b]pyrazin-6-yl]amino]-N,N-dimethylbenzenesulfonamide

C23H32N6O3S — CID 87056019

IUPAC3-[[(3R)-1,3-dimethyl-4-(1-methylpiperidin-4-yl)-2-oxo-3H-pyrido[2,3-b]pyrazin-6-yl]amino]-N,N-dimethylbenzenesulfonamide
SMILESC[C@@H]1C(=O)N(C)c2ccc(Nc3cccc(S(=O)(=O)N(C)C)c3)nc2N1C1CCN(C)CC1
InChIInChI=1S/C23H32N6O3S/c1-16-23(30)28(5)20-9-10-21(25-22(20)29(16)18-11-13-27(4)14-12-18)24-17-7-6-8-19(15-17)33(31,32)26(2)3/h6-10,15-16,18H,11-14H2,1-5H3,(H,24,25)/t16-/m1/s1
InChIKeyYASLYSYFZMRWKD-MRXNPFEDSA-N
MW472.62 g/mol
LogP2.34
Rot. Bonds5

About 3-[[(3R)-1,3-dimethyl-4-(1-methylpiperidin-4-yl)-2-oxo-3H-pyrido[2,3-b]pyrazin-6-yl]amino]-N,N-dimethylbenzenesulfonamide

3-[[(3R)-1,3-dimethyl-4-(1-methylpiperidin-4-yl)-2-oxo-3H-pyrido[2,3-b]pyrazin-6-yl]amino]-N,N-dimethylbenzenesulfonamide (PubChem CID 87056019) has the molecular formula C23H32N6O3S and a molecular weight of 472.62 g/mol. Its IUPAC name is 3-[[(3R)-1,3-dimethyl-4-(1-methylpiperidin-4-yl)-2-oxo-3H-pyrido[2,3-b]pyrazin-6-yl]amino]-N,N-dimethylbenzenesulfonamide.

Molecular Properties

Compound Name3-[[(3R)-1,3-dimethyl-4-(1-methylpiperidin-4-yl)-2-oxo-3H-pyrido[2,3-b]pyrazin-6-yl]amino]-N,N-dimethylbenzenesulfonamide
PubChem CID87056019
Molecular FormulaC23H32N6O3S
Molecular Weight472.62 g/mol
Exact Mass472.23
IUPAC Name3-[[(3R)-1,3-dimethyl-4-(1-methylpiperidin-4-yl)-2-oxo-3H-pyrido[2,3-b]pyrazin-6-yl]amino]-N,N-dimethylbenzenesulfonamide
SMILESC[C@@H]1C(=O)N(C)c2ccc(Nc3cccc(S(=O)(=O)N(C)C)c3)nc2N1C1CCN(C)CC1
InChIInChI=1S/C23H32N6O3S/c1-16-23(30)28(5)20-9-10-21(25-22(20)29(16)18-11-13-27(4)14-12-18)24-17-7-6-8-19(15-17)33(31,32)26(2)3/h6-10,15-16,18H,11-14H2,1-5H3,(H,24,25)/t16-/m1/s1
InChIKeyYASLYSYFZMRWKD-MRXNPFEDSA-N
XLogP2.34
TPSA89.09 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.62
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 3-[[(3R)-1,3-dimethyl-4-(1-methylpiperidin-4-yl)-2-oxo-3H-pyrido[2,3-b]pyrazin-6-yl]amino]-N,N-dimethylbenzenesulfonamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-[[(3R)-1,3-dimethyl-4-(1-methylpiperidin-4-yl)-2-oxo-3H-pyrido[2,3-b]pyrazin-6-yl]amino]-N,N-dimethylbenzenesulfonamide?
The IUPAC name of 3-[[(3R)-1,3-dimethyl-4-(1-methylpiperidin-4-yl)-2-oxo-3H-pyrido[2,3-b]pyrazin-6-yl]amino]-N,N-dimethylbenzenesulfonamide (CID 87056019) is 3-[[(3R)-1,3-dimethyl-4-(1-methylpiperidin-4-yl)-2-oxo-3H-pyrido[2,3-b]pyrazin-6-yl]amino]-N,N-dimethylbenzenesulfonamide.
What is the SMILES notation for 3-[[(3R)-1,3-dimethyl-4-(1-methylpiperidin-4-yl)-2-oxo-3H-pyrido[2,3-b]pyrazin-6-yl]amino]-N,N-dimethylbenzenesulfonamide?
The canonical SMILES for 3-[[(3R)-1,3-dimethyl-4-(1-methylpiperidin-4-yl)-2-oxo-3H-pyrido[2,3-b]pyrazin-6-yl]amino]-N,N-dimethylbenzenesulfonamide is C[C@@H]1C(=O)N(C)c2ccc(Nc3cccc(S(=O)(=O)N(C)C)c3)nc2N1C1CCN(C)CC1.
What is the InChIKey of 3-[[(3R)-1,3-dimethyl-4-(1-methylpiperidin-4-yl)-2-oxo-3H-pyrido[2,3-b]pyrazin-6-yl]amino]-N,N-dimethylbenzenesulfonamide?
The InChIKey is YASLYSYFZMRWKD-MRXNPFEDSA-N. The full InChI is InChI=1S/C23H32N6O3S/c1-16-23(30)28(5)20-9-10-21(25-22(20)29(16)18-11-13-27(4)14-12-18)24-17-7-6-8-19(15-17)33(31,32)26(2)3/h6-10,15-16,18H,11-14H2,1-5H3,(H,24,25)/t16-/m1/s1.
What are the key properties of 3-[[(3R)-1,3-dimethyl-4-(1-methylpiperidin-4-yl)-2-oxo-3H-pyrido[2,3-b]pyrazin-6-yl]amino]-N,N-dimethylbenzenesulfonamide?
3-[[(3R)-1,3-dimethyl-4-(1-methylpiperidin-4-yl)-2-oxo-3H-pyrido[2,3-b]pyrazin-6-yl]amino]-N,N-dimethylbenzenesulfonamide has a molecular weight of 472.62 g/mol, XLogP of 2.34, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(3R)-1,3-dimethyl-4-(1-methylpiperidin-4-yl)-2-oxo-3H-pyrido[2,3-b]pyrazin-6-yl]amino]-N,N-dimethylbenzenesulfonamide is sourced from PubChem (CID 87056019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).