[4-[6-(2-methylpiperidin-1-yl)pyridazin-3-yl]piperazin-1-yl]-(4-propylthiadiazol-5-yl)methanone

C20H29N7OS — CID 122335765

IUPAC[4-[6-(2-methylpiperidin-1-yl)pyridazin-3-yl]piperazin-1-yl]-(4-propylthiadiazol-5-yl)methanone
SMILESCCCc1nnsc1C(=O)N1CCN(c2ccc(N3CCCCC3C)nn2)CC1
InChIInChI=1S/C20H29N7OS/c1-3-6-16-19(29-24-21-16)20(28)26-13-11-25(12-14-26)17-8-9-18(23-22-17)27-10-5-4-7-15(27)2/h8-9,15H,3-7,10-14H2,1-2H3
InChIKeyNWLUFNFROZUOFR-UHFFFAOYSA-N
MW415.57 g/mol
LogP2.62
Rot. Bonds5

About [4-[6-(2-methylpiperidin-1-yl)pyridazin-3-yl]piperazin-1-yl]-(4-propylthiadiazol-5-yl)methanone

[4-[6-(2-methylpiperidin-1-yl)pyridazin-3-yl]piperazin-1-yl]-(4-propylthiadiazol-5-yl)methanone (PubChem CID 122335765) has the molecular formula C20H29N7OS and a molecular weight of 415.57 g/mol. Its IUPAC name is [4-[6-(2-methylpiperidin-1-yl)pyridazin-3-yl]piperazin-1-yl]-(4-propylthiadiazol-5-yl)methanone.

Molecular Properties

Compound Name[4-[6-(2-methylpiperidin-1-yl)pyridazin-3-yl]piperazin-1-yl]-(4-propylthiadiazol-5-yl)methanone
PubChem CID122335765
Molecular FormulaC20H29N7OS
Molecular Weight415.57 g/mol
Exact Mass415.22
IUPAC Name[4-[6-(2-methylpiperidin-1-yl)pyridazin-3-yl]piperazin-1-yl]-(4-propylthiadiazol-5-yl)methanone
SMILESCCCc1nnsc1C(=O)N1CCN(c2ccc(N3CCCCC3C)nn2)CC1
InChIInChI=1S/C20H29N7OS/c1-3-6-16-19(29-24-21-16)20(28)26-13-11-25(12-14-26)17-8-9-18(23-22-17)27-10-5-4-7-15(27)2/h8-9,15H,3-7,10-14H2,1-2H3
InChIKeyNWLUFNFROZUOFR-UHFFFAOYSA-N
XLogP2.62
TPSA78.35 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.57
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

1-[4-[6-(2-methylpiperidin-1-yl)pyridazin-3-yl]piperazin-1-yl]ethanone
CID 121053393
[4-(dimethylamino)phenyl]-[4-[6-(2-methylpiperidin-1-yl)pyridazin-3-yl]piperazin-1-yl]methanone
CID 122335819
(3-fluoro-4-methylphenyl)-[4-[6-(2-methylpiperidin-1-yl)pyridazin-3-yl]piperazin-1-yl]methanone
CID 122335846
[4-[6-(2-methylpiperidin-1-yl)pyridazin-3-yl]piperazin-1-yl]-naphthalen-2-ylmethanone
CID 121053897
(3-methylphenyl)-[4-[6-(2-methylpiperidin-1-yl)pyridazin-3-yl]piperazin-1-yl]methanone
CID 121053406
(4-chloropiperidin-1-yl)-(4-propylthiadiazol-5-yl)methanone
CID 65207991
[4-[6-(1,3-benzodioxol-5-yl)pyridazin-3-yl]piperazin-1-yl]-(4-propylthiadiazol-5-yl)methanone
CID 121059972
[4-[6-(2-methylpiperidin-1-yl)pyridazin-3-yl]piperazin-1-yl]-quinoxalin-6-ylmethanone
CID 122335889
4-[6-(2-methylpiperidin-1-yl)pyridazin-3-yl]-N-thiophen-2-ylpiperazine-1-carboxamide
CID 122335991
1,3-benzothiazol-6-yl-[4-[6-(2-methylpiperidin-1-yl)pyridazin-3-yl]piperazin-1-yl]methanone
CID 122335774
[4-[6-(2-methylpiperidin-1-yl)pyridazin-3-yl]piperazin-1-yl]-(oxolan-2-yl)methanone
CID 121053900
N-(3,5-difluorophenyl)-4-[6-(2-methylpiperidin-1-yl)pyridazin-3-yl]piperazine-1-carboxamide
CID 122335723

Frequently Asked Questions

What is the IUPAC name of [4-[6-(2-methylpiperidin-1-yl)pyridazin-3-yl]piperazin-1-yl]-(4-propylthiadiazol-5-yl)methanone?
The IUPAC name of [4-[6-(2-methylpiperidin-1-yl)pyridazin-3-yl]piperazin-1-yl]-(4-propylthiadiazol-5-yl)methanone (CID 122335765) is [4-[6-(2-methylpiperidin-1-yl)pyridazin-3-yl]piperazin-1-yl]-(4-propylthiadiazol-5-yl)methanone.
What is the SMILES notation for [4-[6-(2-methylpiperidin-1-yl)pyridazin-3-yl]piperazin-1-yl]-(4-propylthiadiazol-5-yl)methanone?
The canonical SMILES for [4-[6-(2-methylpiperidin-1-yl)pyridazin-3-yl]piperazin-1-yl]-(4-propylthiadiazol-5-yl)methanone is CCCc1nnsc1C(=O)N1CCN(c2ccc(N3CCCCC3C)nn2)CC1.
What is the InChIKey of [4-[6-(2-methylpiperidin-1-yl)pyridazin-3-yl]piperazin-1-yl]-(4-propylthiadiazol-5-yl)methanone?
The InChIKey is NWLUFNFROZUOFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N7OS/c1-3-6-16-19(29-24-21-16)20(28)26-13-11-25(12-14-26)17-8-9-18(23-22-17)27-10-5-4-7-15(27)2/h8-9,15H,3-7,10-14H2,1-2H3.
What are the key properties of [4-[6-(2-methylpiperidin-1-yl)pyridazin-3-yl]piperazin-1-yl]-(4-propylthiadiazol-5-yl)methanone?
[4-[6-(2-methylpiperidin-1-yl)pyridazin-3-yl]piperazin-1-yl]-(4-propylthiadiazol-5-yl)methanone has a molecular weight of 415.57 g/mol, XLogP of 2.62, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[6-(2-methylpiperidin-1-yl)pyridazin-3-yl]piperazin-1-yl]-(4-propylthiadiazol-5-yl)methanone is sourced from PubChem (CID 122335765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).