1-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]-3-methyl-2,3,3a,4,5,6,7,7a-octahydroindole

C18H25N5 — CID 133463951

IUPAC1-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]-3-methyl-2,3,3a,4,5,6,7,7a-octahydroindole
SMILESCc1cc(C)n(-c2ccc(N3CC(C)C4CCCCC43)nn2)n1
InChIInChI=1S/C18H25N5/c1-12-11-22(16-7-5-4-6-15(12)16)17-8-9-18(20-19-17)23-14(3)10-13(2)21-23/h8-10,12,15-16H,4-7,11H2,1-3H3
InChIKeyNYPJKKMUOKMRLP-UHFFFAOYSA-N
MW311.43 g/mol
LogP3.29
Rot. Bonds2

About 1-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]-3-methyl-2,3,3a,4,5,6,7,7a-octahydroindole

1-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]-3-methyl-2,3,3a,4,5,6,7,7a-octahydroindole (PubChem CID 133463951) has the molecular formula C18H25N5 and a molecular weight of 311.43 g/mol. Its IUPAC name is 1-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]-3-methyl-2,3,3a,4,5,6,7,7a-octahydroindole.

Molecular Properties

Compound Name1-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]-3-methyl-2,3,3a,4,5,6,7,7a-octahydroindole
PubChem CID133463951
Molecular FormulaC18H25N5
Molecular Weight311.43 g/mol
Exact Mass311.21
IUPAC Name1-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]-3-methyl-2,3,3a,4,5,6,7,7a-octahydroindole
SMILESCc1cc(C)n(-c2ccc(N3CC(C)C4CCCCC43)nn2)n1
InChIInChI=1S/C18H25N5/c1-12-11-22(16-7-5-4-6-15(12)16)17-8-9-18(20-19-17)23-14(3)10-13(2)21-23/h8-10,12,15-16H,4-7,11H2,1-3H3
InChIKeyNYPJKKMUOKMRLP-UHFFFAOYSA-N
XLogP3.29
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.43
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-(3,5-dimethylpyrazol-1-yl)-6-(2,3-dimethylpyrrolidin-1-yl)pyridazine
CID 133357588
6-(3-methyl-2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)tetrazolo[1,5-b]pyridazine
CID 133463961
3-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]sulfanylazepan-2-one
CID 17451982
3-(3,5-dimethylpyrazol-1-yl)-6-[3-(1,3-dioxolan-2-yl)piperidin-1-yl]pyridazine
CID 75421709
4,6-bis(3,5-dimethylpyrazol-1-yl)-2-methylpyrimidine
CID 102051125
3-(4-cyclopropylsulfonylpiperazin-1-yl)-6-(3,5-dimethylpyrazol-1-yl)pyridazine
CID 122339362
N-[(3aS,4R,7aR)-2,3,3a,4,5,6,7,7a-octahydro-1-benzofuran-4-yl]-6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-amine
CID 100900394
N-[(3aS,4R,7aS)-2,3,3a,4,5,6,7,7a-octahydro-1-benzofuran-4-yl]-6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-amine
CID 100900391
1-[1-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]pyrrolidin-3-yl]-4,5,6,7-tetrahydrobenzimidazole
CID 127957643
3-(3,5-dimethylpyrazol-1-yl)-6-[4-(2-methylpyrimidin-4-yl)piperazin-1-yl]pyridazine
CID 133458607
N-cyclopropyl-1-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]piperidine-4-carboxamide
CID 56764773
6-(3,5-dimethylpyrazol-1-yl)-N-[(9R)-6-oxaspiro[4.5]decan-9-yl]pyridazin-3-amine
CID 98559250

Frequently Asked Questions

What is the IUPAC name of 1-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]-3-methyl-2,3,3a,4,5,6,7,7a-octahydroindole?
The IUPAC name of 1-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]-3-methyl-2,3,3a,4,5,6,7,7a-octahydroindole (CID 133463951) is 1-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]-3-methyl-2,3,3a,4,5,6,7,7a-octahydroindole.
What is the SMILES notation for 1-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]-3-methyl-2,3,3a,4,5,6,7,7a-octahydroindole?
The canonical SMILES for 1-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]-3-methyl-2,3,3a,4,5,6,7,7a-octahydroindole is Cc1cc(C)n(-c2ccc(N3CC(C)C4CCCCC43)nn2)n1.
What is the InChIKey of 1-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]-3-methyl-2,3,3a,4,5,6,7,7a-octahydroindole?
The InChIKey is NYPJKKMUOKMRLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N5/c1-12-11-22(16-7-5-4-6-15(12)16)17-8-9-18(20-19-17)23-14(3)10-13(2)21-23/h8-10,12,15-16H,4-7,11H2,1-3H3.
What are the key properties of 1-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]-3-methyl-2,3,3a,4,5,6,7,7a-octahydroindole?
1-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]-3-methyl-2,3,3a,4,5,6,7,7a-octahydroindole has a molecular weight of 311.43 g/mol, XLogP of 3.29, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]-3-methyl-2,3,3a,4,5,6,7,7a-octahydroindole is sourced from PubChem (CID 133463951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).