1-[1-[6-(1-methylpyrazol-4-yl)pyridazin-3-yl]piperidin-4-yl]-2,3-dihydroindole

C21H24N6 — CID 71585292

IUPAC1-[1-[6-(1-methylpyrazol-4-yl)pyridazin-3-yl]piperidin-4-yl]-2,3-dihydroindole
SMILESCn1cc(-c2ccc(N3CCC(N4CCc5ccccc54)CC3)nn2)cn1
InChIInChI=1S/C21H24N6/c1-25-15-17(14-22-25)19-6-7-21(24-23-19)26-11-9-18(10-12-26)27-13-8-16-4-2-3-5-20(16)27/h2-7,14-15,18H,8-13H2,1H3
InChIKeyHMPOJRZNFPUIOX-UHFFFAOYSA-N
MW360.47 g/mol
LogP2.91
Rot. Bonds3

About 1-[1-[6-(1-methylpyrazol-4-yl)pyridazin-3-yl]piperidin-4-yl]-2,3-dihydroindole

1-[1-[6-(1-methylpyrazol-4-yl)pyridazin-3-yl]piperidin-4-yl]-2,3-dihydroindole (PubChem CID 71585292) has the molecular formula C21H24N6 and a molecular weight of 360.47 g/mol. Its IUPAC name is 1-[1-[6-(1-methylpyrazol-4-yl)pyridazin-3-yl]piperidin-4-yl]-2,3-dihydroindole.

Molecular Properties

Compound Name1-[1-[6-(1-methylpyrazol-4-yl)pyridazin-3-yl]piperidin-4-yl]-2,3-dihydroindole
PubChem CID71585292
Molecular FormulaC21H24N6
Molecular Weight360.47 g/mol
Exact Mass360.21
IUPAC Name1-[1-[6-(1-methylpyrazol-4-yl)pyridazin-3-yl]piperidin-4-yl]-2,3-dihydroindole
SMILESCn1cc(-c2ccc(N3CCC(N4CCc5ccccc54)CC3)nn2)cn1
InChIInChI=1S/C21H24N6/c1-25-15-17(14-22-25)19-6-7-21(24-23-19)26-11-9-18(10-12-26)27-13-8-16-4-2-3-5-20(16)27/h2-7,14-15,18H,8-13H2,1H3
InChIKeyHMPOJRZNFPUIOX-UHFFFAOYSA-N
XLogP2.91
TPSA50.08 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.47
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

(R)-Zinc-3573
CID 95882507
(R)-2-(5-methyl-1-(pyridin-2-yl)-1H-pyrazol-4-yl)-6-(2-(2-methylpyrrolidin-1-yl)ethyl)quinoline
CID 11603648
CID 46891461
CID 46891461
(S)-Zinc-5373
CID 95882508
1-Allyl-5-(2-phenylpyrazolo[1,5-A]pyridin-3-YL)-1H-pyrazolo[3,4-C]pyridazin-3-amine
CID 6419426
(3H)A-585539
CID 23643135
(R)-N,N-dimethyl-6-(5-methyl-4-(6-(2-(2-methylpyrrolidin-1-yl)ethyl)quinolin-2-yl)-1H-pyrazol-1-yl)pyridazin-3-amine
CID 46890283
5-(6-((1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)pyridazin-3-yl)-1H-indazole
CID 46891529
12-Cyclopentyl-10-ethyl-5-pyridin-2-yl-3,4,6,11,12-pentazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,10-tetraene
CID 9945610
12-Cyclopentyl-10-ethyl-5-pyridin-4-yl-3,4,6,11,12-pentazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,10-tetraene
CID 10268586
9-cyclopentyl-5,6-dihydro-7-ethyl-3-(3-pyridyl)-9H-pyrazolo[3,4-c]-1,2,4-triazolo[4,3-alpha]pyridine
CID 15434926
(1S,4S)-2-methyl-5-(6-phenylpyridazin-3-yl)-2,5-diazabicyclo[2.2.1]heptane
CID 15462089

Frequently Asked Questions

What is the IUPAC name of 1-[1-[6-(1-methylpyrazol-4-yl)pyridazin-3-yl]piperidin-4-yl]-2,3-dihydroindole?
The IUPAC name of 1-[1-[6-(1-methylpyrazol-4-yl)pyridazin-3-yl]piperidin-4-yl]-2,3-dihydroindole (CID 71585292) is 1-[1-[6-(1-methylpyrazol-4-yl)pyridazin-3-yl]piperidin-4-yl]-2,3-dihydroindole.
What is the SMILES notation for 1-[1-[6-(1-methylpyrazol-4-yl)pyridazin-3-yl]piperidin-4-yl]-2,3-dihydroindole?
The canonical SMILES for 1-[1-[6-(1-methylpyrazol-4-yl)pyridazin-3-yl]piperidin-4-yl]-2,3-dihydroindole is Cn1cc(-c2ccc(N3CCC(N4CCc5ccccc54)CC3)nn2)cn1.
What is the InChIKey of 1-[1-[6-(1-methylpyrazol-4-yl)pyridazin-3-yl]piperidin-4-yl]-2,3-dihydroindole?
The InChIKey is HMPOJRZNFPUIOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N6/c1-25-15-17(14-22-25)19-6-7-21(24-23-19)26-11-9-18(10-12-26)27-13-8-16-4-2-3-5-20(16)27/h2-7,14-15,18H,8-13H2,1H3.
What are the key properties of 1-[1-[6-(1-methylpyrazol-4-yl)pyridazin-3-yl]piperidin-4-yl]-2,3-dihydroindole?
1-[1-[6-(1-methylpyrazol-4-yl)pyridazin-3-yl]piperidin-4-yl]-2,3-dihydroindole has a molecular weight of 360.47 g/mol, XLogP of 2.91, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[6-(1-methylpyrazol-4-yl)pyridazin-3-yl]piperidin-4-yl]-2,3-dihydroindole is sourced from PubChem (CID 71585292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).