1-[1-[6-(1-methylpyrazol-4-yl)pyridazin-3-yl]piperidin-4-yl]indole

C21H22N6 — CID 71585293

IUPAC1-[1-[6-(1-methylpyrazol-4-yl)pyridazin-3-yl]piperidin-4-yl]indole
SMILESCn1cc(-c2ccc(N3CCC(n4ccc5ccccc54)CC3)nn2)cn1
InChIInChI=1S/C21H22N6/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/h2-8,13-15,18H,9-12H2,1H3
InChIKeyMQDMVBGUNSHZPN-UHFFFAOYSA-N
MW358.45 g/mol
LogP3.67
Rot. Bonds3

About 1-[1-[6-(1-methylpyrazol-4-yl)pyridazin-3-yl]piperidin-4-yl]indole

1-[1-[6-(1-methylpyrazol-4-yl)pyridazin-3-yl]piperidin-4-yl]indole (PubChem CID 71585293) has the molecular formula C21H22N6 and a molecular weight of 358.45 g/mol. Its IUPAC name is 1-[1-[6-(1-methylpyrazol-4-yl)pyridazin-3-yl]piperidin-4-yl]indole.

Molecular Properties

Compound Name1-[1-[6-(1-methylpyrazol-4-yl)pyridazin-3-yl]piperidin-4-yl]indole
PubChem CID71585293
Molecular FormulaC21H22N6
Molecular Weight358.45 g/mol
Exact Mass358.19
IUPAC Name1-[1-[6-(1-methylpyrazol-4-yl)pyridazin-3-yl]piperidin-4-yl]indole
SMILESCn1cc(-c2ccc(N3CCC(n4ccc5ccccc54)CC3)nn2)cn1
InChIInChI=1S/C21H22N6/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/h2-8,13-15,18H,9-12H2,1H3
InChIKeyMQDMVBGUNSHZPN-UHFFFAOYSA-N
XLogP3.67
TPSA51.77 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.45
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

Adipiplon
CID 11198924
6-(Difluoro(6-(1-methyl-1H-pyrazol-4-yl)-1,2,4-triazolo(4,3-b)pyridazin-3-yl)methyl)quinoline
CID 46911863
(R)-Zinc-3573
CID 95882507
PF-04254644
CID 24871823
FR-180204
CID 11493598
1-(1-methylethyl)-3-quinolin-6-yl-1H-pyrazolo(3,4-d)pyrimidin-4-amine
CID 24905152
2-{3-Phenylpyrazolo[1,5-a]pyrimidin-6-yl}pyridine
CID 5329461
6-((6-(1-methyl-1H-pyrazol-4-yl)imidazo[1,2-b]pyridazin-3-yl)methyl)quinoline
CID 44206063
4-[6-[4-(4-Methylpiperazin-1-yl)phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]quinoline
CID 60182364
N-{6-[(2s)-2-Methylpyrrolidin-1-Yl]pyridin-2-Yl}-6-Phenylimidazo[1,2-B]pyridazin-8-Amine
CID 71525988
1-Tert-Butyl-3-[(1h-Indol-3-Yl)methyl]-1h-Pyrazolo[3,4-D]pyrimidin-4-Amine
CID 129316173
5-(2-Phenyl-pyrazolo[1,5-a]pyridin-3-yl)-1H-pyrazolo[3,4-c]pyridazin-3-ylamine
CID 53338808

Frequently Asked Questions

What is the IUPAC name of 1-[1-[6-(1-methylpyrazol-4-yl)pyridazin-3-yl]piperidin-4-yl]indole?
The IUPAC name of 1-[1-[6-(1-methylpyrazol-4-yl)pyridazin-3-yl]piperidin-4-yl]indole (CID 71585293) is 1-[1-[6-(1-methylpyrazol-4-yl)pyridazin-3-yl]piperidin-4-yl]indole.
What is the SMILES notation for 1-[1-[6-(1-methylpyrazol-4-yl)pyridazin-3-yl]piperidin-4-yl]indole?
The canonical SMILES for 1-[1-[6-(1-methylpyrazol-4-yl)pyridazin-3-yl]piperidin-4-yl]indole 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]indole?
The InChIKey is MQDMVBGUNSHZPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N6/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/h2-8,13-15,18H,9-12H2,1H3.
What are the key properties of 1-[1-[6-(1-methylpyrazol-4-yl)pyridazin-3-yl]piperidin-4-yl]indole?
1-[1-[6-(1-methylpyrazol-4-yl)pyridazin-3-yl]piperidin-4-yl]indole has a molecular weight of 358.45 g/mol, XLogP of 3.67, 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]indole is sourced from PubChem (CID 71585293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).