N-(4,6-dihydrothieno[3,4-c][1,2]oxazol-3-yl)-1-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]piperidine-4-carboxamide

C20H23N7O2S — CID 90514343

IUPACN-(4,6-dihydrothieno[3,4-c][1,2]oxazol-3-yl)-1-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]piperidine-4-carboxamide
SMILESCc1cc(C)n(-c2ccc(N3CCC(C(=O)Nc4onc5c4CSC5)CC3)nn2)n1
InChIInChI=1S/C20H23N7O2S/c1-12-9-13(2)27(24-12)18-4-3-17(22-23-18)26-7-5-14(6-8-26)19(28)21-20-15-10-30-11-16(15)25-29-20/h3-4,9,14H,5-8,10-11H2,1-2H3,(H,21,28)
InChIKeyCXDQTDNGLVLQCO-UHFFFAOYSA-N
MW425.52 g/mol
LogP2.87
Rot. Bonds4

About N-(4,6-dihydrothieno[3,4-c][1,2]oxazol-3-yl)-1-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]piperidine-4-carboxamide

N-(4,6-dihydrothieno[3,4-c][1,2]oxazol-3-yl)-1-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]piperidine-4-carboxamide (PubChem CID 90514343) has the molecular formula C20H23N7O2S and a molecular weight of 425.52 g/mol. Its IUPAC name is N-(4,6-dihydrothieno[3,4-c][1,2]oxazol-3-yl)-1-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(4,6-dihydrothieno[3,4-c][1,2]oxazol-3-yl)-1-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]piperidine-4-carboxamide
PubChem CID90514343
Molecular FormulaC20H23N7O2S
Molecular Weight425.52 g/mol
Exact Mass425.16
IUPAC NameN-(4,6-dihydrothieno[3,4-c][1,2]oxazol-3-yl)-1-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]piperidine-4-carboxamide
SMILESCc1cc(C)n(-c2ccc(N3CCC(C(=O)Nc4onc5c4CSC5)CC3)nn2)n1
InChIInChI=1S/C20H23N7O2S/c1-12-9-13(2)27(24-12)18-4-3-17(22-23-18)26-7-5-14(6-8-26)19(28)21-20-15-10-30-11-16(15)25-29-20/h3-4,9,14H,5-8,10-11H2,1-2H3,(H,21,28)
InChIKeyCXDQTDNGLVLQCO-UHFFFAOYSA-N
XLogP2.87
TPSA101.97 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.52
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze N-(4,6-dihydrothieno[3,4-c][1,2]oxazol-3-yl)-1-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]piperidine-4-carboxamide with MolForge

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

Launch Full Analysis

Related Compounds

N-(4,6-dihydrothieno[3,4-c][1,2]oxazol-3-yl)-1-(6-thiophen-2-ylpyridazin-3-yl)piperidine-4-carboxamide
CID 121071795
N-cyclopropyl-1-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]piperidine-4-carboxamide
CID 56764773
N-(4,6-dihydrothieno[3,4-c][1,2]oxazol-3-yl)-1-[6-(2-methylimidazol-1-yl)pyrimidin-4-yl]piperidine-4-carboxamide
CID 90520133
1-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]-N-pyridin-3-ylpiperidine-4-carboxamide
CID 90514232
N-(2,4-dimethoxyphenyl)-1-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]piperidine-4-carboxamide
CID 90514213
N-(3-chloro-4-methylphenyl)-1-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]piperidine-4-carboxamide
CID 90514281
N-(3,5-dimethoxyphenyl)-1-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]piperidine-4-carboxamide
CID 90514293
N-(3-chloro-2-methylphenyl)-1-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]piperidine-4-carboxamide
CID 90514282
1-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]-N-(2-methylsulfanylphenyl)piperidine-4-carboxamide
CID 90514318
1-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]-N-(6-methyl-1,3-benzothiazol-2-yl)piperidine-4-carboxamide
CID 90514308
N-(5-chloro-2-cyanophenyl)-1-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]piperidine-4-carboxamide
CID 90514306
1-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]-N-(2-ethoxyphenyl)piperidine-4-carboxamide
CID 90514251

Frequently Asked Questions

What is the IUPAC name of N-(4,6-dihydrothieno[3,4-c][1,2]oxazol-3-yl)-1-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]piperidine-4-carboxamide?
The IUPAC name of N-(4,6-dihydrothieno[3,4-c][1,2]oxazol-3-yl)-1-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]piperidine-4-carboxamide (CID 90514343) is N-(4,6-dihydrothieno[3,4-c][1,2]oxazol-3-yl)-1-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]piperidine-4-carboxamide.
What is the SMILES notation for N-(4,6-dihydrothieno[3,4-c][1,2]oxazol-3-yl)-1-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]piperidine-4-carboxamide?
The canonical SMILES for N-(4,6-dihydrothieno[3,4-c][1,2]oxazol-3-yl)-1-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]piperidine-4-carboxamide is Cc1cc(C)n(-c2ccc(N3CCC(C(=O)Nc4onc5c4CSC5)CC3)nn2)n1.
What is the InChIKey of N-(4,6-dihydrothieno[3,4-c][1,2]oxazol-3-yl)-1-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]piperidine-4-carboxamide?
The InChIKey is CXDQTDNGLVLQCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N7O2S/c1-12-9-13(2)27(24-12)18-4-3-17(22-23-18)26-7-5-14(6-8-26)19(28)21-20-15-10-30-11-16(15)25-29-20/h3-4,9,14H,5-8,10-11H2,1-2H3,(H,21,28).
What are the key properties of N-(4,6-dihydrothieno[3,4-c][1,2]oxazol-3-yl)-1-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]piperidine-4-carboxamide?
N-(4,6-dihydrothieno[3,4-c][1,2]oxazol-3-yl)-1-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]piperidine-4-carboxamide has a molecular weight of 425.52 g/mol, XLogP of 2.87, 4 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,6-dihydrothieno[3,4-c][1,2]oxazol-3-yl)-1-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]piperidine-4-carboxamide is sourced from PubChem (CID 90514343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).