N,N-dimethyl-4-[[3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]benzenesulfonamide

C18H19N7O2S — CID 56669813

IUPACN,N-dimethyl-4-[[3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]benzenesulfonamide
SMILESCN(C)S(=O)(=O)c1ccc(Nc2nccn3c(-c4cnn(C)c4)cnc23)cc1
InChIInChI=1S/C18H19N7O2S/c1-23(2)28(26,27)15-6-4-14(5-7-15)22-17-18-20-11-16(25(18)9-8-19-17)13-10-21-24(3)12-13/h4-12H,1-3H3,(H,19,22)
InChIKeyLNJWPNHPUQNKQN-UHFFFAOYSA-N
MW397.46 g/mol
LogP2.12
Rot. Bonds5

About N,N-dimethyl-4-[[3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]benzenesulfonamide

N,N-dimethyl-4-[[3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]benzenesulfonamide (PubChem CID 56669813) has the molecular formula C18H19N7O2S and a molecular weight of 397.46 g/mol. Its IUPAC name is N,N-dimethyl-4-[[3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]benzenesulfonamide.

Molecular Properties

Compound NameN,N-dimethyl-4-[[3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]benzenesulfonamide
PubChem CID56669813
Molecular FormulaC18H19N7O2S
Molecular Weight397.46 g/mol
Exact Mass397.13
IUPAC NameN,N-dimethyl-4-[[3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]benzenesulfonamide
SMILESCN(C)S(=O)(=O)c1ccc(Nc2nccn3c(-c4cnn(C)c4)cnc23)cc1
InChIInChI=1S/C18H19N7O2S/c1-23(2)28(26,27)15-6-4-14(5-7-15)22-17-18-20-11-16(25(18)9-8-19-17)13-10-21-24(3)12-13/h4-12H,1-3H3,(H,19,22)
InChIKeyLNJWPNHPUQNKQN-UHFFFAOYSA-N
XLogP2.12
TPSA97.42 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.46
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-4-[[3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]benzenesulfonamide?
The IUPAC name of N,N-dimethyl-4-[[3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]benzenesulfonamide (CID 56669813) is N,N-dimethyl-4-[[3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]benzenesulfonamide.
What is the SMILES notation for N,N-dimethyl-4-[[3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]benzenesulfonamide?
The canonical SMILES for N,N-dimethyl-4-[[3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]benzenesulfonamide is CN(C)S(=O)(=O)c1ccc(Nc2nccn3c(-c4cnn(C)c4)cnc23)cc1.
What is the InChIKey of N,N-dimethyl-4-[[3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]benzenesulfonamide?
The InChIKey is LNJWPNHPUQNKQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N7O2S/c1-23(2)28(26,27)15-6-4-14(5-7-15)22-17-18-20-11-16(25(18)9-8-19-17)13-10-21-24(3)12-13/h4-12H,1-3H3,(H,19,22).
What are the key properties of N,N-dimethyl-4-[[3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]benzenesulfonamide?
N,N-dimethyl-4-[[3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]benzenesulfonamide has a molecular weight of 397.46 g/mol, XLogP of 2.12, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-4-[[3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]benzenesulfonamide is sourced from PubChem (CID 56669813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).