N-[2,4-dimethyl-5-(6-pyridazin-3-ylimidazo[2,1-e]pyrazol-1-yl)phenyl]-3-(pentafluoro-λ6-sulfanyl)benzamide

C24H19F5N6OS — CID 71667107

IUPACN-[2,4-dimethyl-5-(6-pyridazin-3-ylimidazo[2,1-e]pyrazol-1-yl)phenyl]-3-(pentafluoro-λ6-sulfanyl)benzamide
SMILESCc1cc(C)c(-n2ccn3nc(-c4cccnn4)cc23)cc1NC(=O)c1cccc(S(F)(F)(F)(F)F)c1
InChIInChI=1S/C24H19F5N6OS/c1-15-11-16(2)22(34-9-10-35-23(34)14-21(33-35)19-7-4-8-30-32-19)13-20(15)31-24(36)17-5-3-6-18(12-17)37(25,26,27,28)29/h3-14H,1-2H3,(H,31,36)
InChIKeyDQHMKYJAIZFRET-UHFFFAOYSA-N
MW534.51 g/mol
LogP7.11
Rot. Bonds5

About N-[2,4-dimethyl-5-(6-pyridazin-3-ylimidazo[2,1-e]pyrazol-1-yl)phenyl]-3-(pentafluoro-λ6-sulfanyl)benzamide

N-[2,4-dimethyl-5-(6-pyridazin-3-ylimidazo[2,1-e]pyrazol-1-yl)phenyl]-3-(pentafluoro-λ6-sulfanyl)benzamide (PubChem CID 71667107) has the molecular formula C24H19F5N6OS and a molecular weight of 534.51 g/mol. Its IUPAC name is N-[2,4-dimethyl-5-(6-pyridazin-3-ylimidazo[2,1-e]pyrazol-1-yl)phenyl]-3-(pentafluoro-λ6-sulfanyl)benzamide.

Molecular Properties

Compound NameN-[2,4-dimethyl-5-(6-pyridazin-3-ylimidazo[2,1-e]pyrazol-1-yl)phenyl]-3-(pentafluoro-λ6-sulfanyl)benzamide
PubChem CID71667107
Molecular FormulaC24H19F5N6OS
Molecular Weight534.51 g/mol
Exact Mass534.13
IUPAC NameN-[2,4-dimethyl-5-(6-pyridazin-3-ylimidazo[2,1-e]pyrazol-1-yl)phenyl]-3-(pentafluoro-λ6-sulfanyl)benzamide
SMILESCc1cc(C)c(-n2ccn3nc(-c4cccnn4)cc23)cc1NC(=O)c1cccc(S(F)(F)(F)(F)F)c1
InChIInChI=1S/C24H19F5N6OS/c1-15-11-16(2)22(34-9-10-35-23(34)14-21(33-35)19-7-4-8-30-32-19)13-20(15)31-24(36)17-5-3-6-18(12-17)37(25,26,27,28)29/h3-14H,1-2H3,(H,31,36)
InChIKeyDQHMKYJAIZFRET-UHFFFAOYSA-N
XLogP7.11
TPSA77.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500534.51
LogP ≤ 57.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[2,4-dimethyl-5-(6-pyridazin-3-ylimidazo[2,1-e]pyrazol-1-yl)phenyl]-3-(pentafluoro-λ6-sulfanyl)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[2,4-dimethyl-5-(6-pyridazin-3-ylimidazo[2,1-e]pyrazol-1-yl)phenyl]-3-(pentafluoro-λ6-sulfanyl)benzamide?
The IUPAC name of N-[2,4-dimethyl-5-(6-pyridazin-3-ylimidazo[2,1-e]pyrazol-1-yl)phenyl]-3-(pentafluoro-λ6-sulfanyl)benzamide (CID 71667107) is N-[2,4-dimethyl-5-(6-pyridazin-3-ylimidazo[2,1-e]pyrazol-1-yl)phenyl]-3-(pentafluoro-λ6-sulfanyl)benzamide.
What is the SMILES notation for N-[2,4-dimethyl-5-(6-pyridazin-3-ylimidazo[2,1-e]pyrazol-1-yl)phenyl]-3-(pentafluoro-λ6-sulfanyl)benzamide?
The canonical SMILES for N-[2,4-dimethyl-5-(6-pyridazin-3-ylimidazo[2,1-e]pyrazol-1-yl)phenyl]-3-(pentafluoro-λ6-sulfanyl)benzamide is Cc1cc(C)c(-n2ccn3nc(-c4cccnn4)cc23)cc1NC(=O)c1cccc(S(F)(F)(F)(F)F)c1.
What is the InChIKey of N-[2,4-dimethyl-5-(6-pyridazin-3-ylimidazo[2,1-e]pyrazol-1-yl)phenyl]-3-(pentafluoro-λ6-sulfanyl)benzamide?
The InChIKey is DQHMKYJAIZFRET-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19F5N6OS/c1-15-11-16(2)22(34-9-10-35-23(34)14-21(33-35)19-7-4-8-30-32-19)13-20(15)31-24(36)17-5-3-6-18(12-17)37(25,26,27,28)29/h3-14H,1-2H3,(H,31,36).
What are the key properties of N-[2,4-dimethyl-5-(6-pyridazin-3-ylimidazo[2,1-e]pyrazol-1-yl)phenyl]-3-(pentafluoro-λ6-sulfanyl)benzamide?
N-[2,4-dimethyl-5-(6-pyridazin-3-ylimidazo[2,1-e]pyrazol-1-yl)phenyl]-3-(pentafluoro-λ6-sulfanyl)benzamide has a molecular weight of 534.51 g/mol, XLogP of 7.11, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2,4-dimethyl-5-(6-pyridazin-3-ylimidazo[2,1-e]pyrazol-1-yl)phenyl]-3-(pentafluoro-λ6-sulfanyl)benzamide is sourced from PubChem (CID 71667107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).