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

C24H27ClN6 — CID 123248931

IUPAC5-chloro-3-cyclopropyl-1-[1-[6-(1-methylpyrazol-4-yl)pyridazin-3-yl]piperidin-4-yl]-2,3-dihydroindole
SMILESCn1cc(-c2ccc(N3CCC(N4CC(C5CC5)c5cc(Cl)ccc54)CC3)nn2)cn1
InChIInChI=1S/C24H27ClN6/c1-29-14-17(13-26-29)22-5-7-24(28-27-22)30-10-8-19(9-11-30)31-15-21(16-2-3-16)20-12-18(25)4-6-23(20)31/h4-7,12-14,16,19,21H,2-3,8-11,15H2,1H3
InChIKeyYWSSXMXDOAABKP-UHFFFAOYSA-N
MW434.98 g/mol
LogP4.51
Rot. Bonds4

About 5-chloro-3-cyclopropyl-1-[1-[6-(1-methylpyrazol-4-yl)pyridazin-3-yl]piperidin-4-yl]-2,3-dihydroindole

5-chloro-3-cyclopropyl-1-[1-[6-(1-methylpyrazol-4-yl)pyridazin-3-yl]piperidin-4-yl]-2,3-dihydroindole (PubChem CID 123248931) has the molecular formula C24H27ClN6 and a molecular weight of 434.98 g/mol. Its IUPAC name is 5-chloro-3-cyclopropyl-1-[1-[6-(1-methylpyrazol-4-yl)pyridazin-3-yl]piperidin-4-yl]-2,3-dihydroindole.

Molecular Properties

Compound Name5-chloro-3-cyclopropyl-1-[1-[6-(1-methylpyrazol-4-yl)pyridazin-3-yl]piperidin-4-yl]-2,3-dihydroindole
PubChem CID123248931
Molecular FormulaC24H27ClN6
Molecular Weight434.98 g/mol
Exact Mass434.20
IUPAC Name5-chloro-3-cyclopropyl-1-[1-[6-(1-methylpyrazol-4-yl)pyridazin-3-yl]piperidin-4-yl]-2,3-dihydroindole
SMILESCn1cc(-c2ccc(N3CCC(N4CC(C5CC5)c5cc(Cl)ccc54)CC3)nn2)cn1
InChIInChI=1S/C24H27ClN6/c1-29-14-17(13-26-29)22-5-7-24(28-27-22)30-10-8-19(9-11-30)31-15-21(16-2-3-16)20-12-18(25)4-6-23(20)31/h4-7,12-14,16,19,21H,2-3,8-11,15H2,1H3
InChIKeyYWSSXMXDOAABKP-UHFFFAOYSA-N
XLogP4.51
TPSA50.08 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.98
LogP ≤ 54.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

9-cyclobutyl-3-[6-(1-methylpyrazol-4-yl)pyridazin-3-yl]-3,9-diazaspiro[5.5]undecane
CID 59818870
(3R)-1-[6-(4-chlorophenyl)-2-(1-methylpyrazol-4-yl)pyrimidin-4-yl]pyrrolidin-3-ol
CID 156866137
3-(3-chlorophenyl)-6-[4-[(1-methylpiperidin-3-yl)methyl]piperazin-1-yl]pyridazine
CID 59442820
2-[4-(5-chloro-2-pyridinyl)piperazin-1-yl]-6-(1-methylpyrazol-4-yl)pyrazine
CID 163352896
3-(4-fluorophenyl)-6-[3-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-1-yl]pyridazine
CID 133341779
1-[1-[6-(1-ethylpyrazol-4-yl)pyridazin-3-yl]piperidin-4-yl]-6-fluoroindole
CID 71585398
5-chloro-1-cyclopentyl-2,3-dihydroindol-3-amine
CID 45043254
2-[4-[6-(4-chlorophenyl)-2-(1-methylpyrazol-4-yl)pyrimidin-4-yl]piperazin-1-yl]ethanol
CID 156866176
1-[6-(4-chlorophenyl)pyridazin-3-yl]-N-(4-methylpiperazin-1-yl)piperidine-4-carboxamide
CID 30362233
[1-[6-(4-chlorophenyl)-2-(1-methylpyrazol-4-yl)pyrimidin-4-yl]piperidin-3-yl]methanol
CID 175342095
N-(3-chloro-4-fluorophenyl)-1-(6-pyridin-3-ylpyridazin-3-yl)piperidine-4-carboxamide
CID 30365439
4-[1-[6-(4-fluorophenyl)pyridazin-3-yl]piperidin-4-yl]-2-methylmorpholine
CID 133271900

Frequently Asked Questions

What is the IUPAC name of 5-chloro-3-cyclopropyl-1-[1-[6-(1-methylpyrazol-4-yl)pyridazin-3-yl]piperidin-4-yl]-2,3-dihydroindole?
The IUPAC name of 5-chloro-3-cyclopropyl-1-[1-[6-(1-methylpyrazol-4-yl)pyridazin-3-yl]piperidin-4-yl]-2,3-dihydroindole (CID 123248931) is 5-chloro-3-cyclopropyl-1-[1-[6-(1-methylpyrazol-4-yl)pyridazin-3-yl]piperidin-4-yl]-2,3-dihydroindole.
What is the SMILES notation for 5-chloro-3-cyclopropyl-1-[1-[6-(1-methylpyrazol-4-yl)pyridazin-3-yl]piperidin-4-yl]-2,3-dihydroindole?
The canonical SMILES for 5-chloro-3-cyclopropyl-1-[1-[6-(1-methylpyrazol-4-yl)pyridazin-3-yl]piperidin-4-yl]-2,3-dihydroindole is Cn1cc(-c2ccc(N3CCC(N4CC(C5CC5)c5cc(Cl)ccc54)CC3)nn2)cn1.
What is the InChIKey of 5-chloro-3-cyclopropyl-1-[1-[6-(1-methylpyrazol-4-yl)pyridazin-3-yl]piperidin-4-yl]-2,3-dihydroindole?
The InChIKey is YWSSXMXDOAABKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27ClN6/c1-29-14-17(13-26-29)22-5-7-24(28-27-22)30-10-8-19(9-11-30)31-15-21(16-2-3-16)20-12-18(25)4-6-23(20)31/h4-7,12-14,16,19,21H,2-3,8-11,15H2,1H3.
What are the key properties of 5-chloro-3-cyclopropyl-1-[1-[6-(1-methylpyrazol-4-yl)pyridazin-3-yl]piperidin-4-yl]-2,3-dihydroindole?
5-chloro-3-cyclopropyl-1-[1-[6-(1-methylpyrazol-4-yl)pyridazin-3-yl]piperidin-4-yl]-2,3-dihydroindole has a molecular weight of 434.98 g/mol, XLogP of 4.51, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-3-cyclopropyl-1-[1-[6-(1-methylpyrazol-4-yl)pyridazin-3-yl]piperidin-4-yl]-2,3-dihydroindole is sourced from PubChem (CID 123248931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).