4-chloro-5-[4-[3-(2,3-dihydroindol-1-yl)-3-oxopropyl]piperazin-1-yl]-2-phenylpyridazin-3-one

C25H26ClN5O2 — CID 31922389

IUPAC4-chloro-5-[4-[3-(2,3-dihydroindol-1-yl)-3-oxopropyl]piperazin-1-yl]-2-phenylpyridazin-3-one
SMILESO=C(CCN1CCN(c2cnn(-c3ccccc3)c(=O)c2Cl)CC1)N1CCc2ccccc21
InChIInChI=1S/C25H26ClN5O2/c26-24-22(18-27-31(25(24)33)20-7-2-1-3-8-20)29-16-14-28(15-17-29)12-11-23(32)30-13-10-19-6-4-5-9-21(19)30/h1-9,18H,10-17H2
InChIKeyAQFCWNYDFVPZEO-UHFFFAOYSA-N
MW463.97 g/mol
LogP2.99
Rot. Bonds5

About 4-chloro-5-[4-[3-(2,3-dihydroindol-1-yl)-3-oxopropyl]piperazin-1-yl]-2-phenylpyridazin-3-one

4-chloro-5-[4-[3-(2,3-dihydroindol-1-yl)-3-oxopropyl]piperazin-1-yl]-2-phenylpyridazin-3-one (PubChem CID 31922389) has the molecular formula C25H26ClN5O2 and a molecular weight of 463.97 g/mol. Its IUPAC name is 4-chloro-5-[4-[3-(2,3-dihydroindol-1-yl)-3-oxopropyl]piperazin-1-yl]-2-phenylpyridazin-3-one.

Molecular Properties

Compound Name4-chloro-5-[4-[3-(2,3-dihydroindol-1-yl)-3-oxopropyl]piperazin-1-yl]-2-phenylpyridazin-3-one
PubChem CID31922389
Molecular FormulaC25H26ClN5O2
Molecular Weight463.97 g/mol
Exact Mass463.18
IUPAC Name4-chloro-5-[4-[3-(2,3-dihydroindol-1-yl)-3-oxopropyl]piperazin-1-yl]-2-phenylpyridazin-3-one
SMILESO=C(CCN1CCN(c2cnn(-c3ccccc3)c(=O)c2Cl)CC1)N1CCc2ccccc21
InChIInChI=1S/C25H26ClN5O2/c26-24-22(18-27-31(25(24)33)20-7-2-1-3-8-20)29-16-14-28(15-17-29)12-11-23(32)30-13-10-19-6-4-5-9-21(19)30/h1-9,18H,10-17H2
InChIKeyAQFCWNYDFVPZEO-UHFFFAOYSA-N
XLogP2.99
TPSA61.68 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.97
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

4-chloro-5-[4-(2-methoxyethyl)piperazin-1-yl]-2-phenylpyridazin-3-one
CID 31921656
1-(2,3-dihydroindol-1-yl)-3-[4-(4-hydroxyphenyl)piperazin-1-yl]propan-1-one
CID 30099955
1-(2,3-dihydroindol-1-yl)-3-[4-(4-fluorophenyl)piperazin-1-yl]propan-1-one
CID 51302576
3-(4-acetylpiperazin-1-yl)-1-(2,3-dihydroindol-1-yl)propan-1-one
CID 110665042
4-chloro-5-[4-[2-(2-fluorophenyl)acetyl]piperazin-1-yl]-2-phenylpyridazin-3-one
CID 26690054
4-chloro-5-[4-[4-(methylamino)butanoyl]piperazin-1-yl]-2-phenylpyridazin-3-one;hydrochloride
CID 119687509
1-[4-[3-(2,3-dihydroindol-1-yl)-3-oxopropyl]piperazin-1-yl]-2,2-dimethylpropan-1-one
CID 110665050
2-[4-(5-chloro-6-oxo-1-phenylpyridazin-4-yl)piperazin-1-yl]-N-(4-fluorophenyl)acetamide
CID 29108150
3-[4-(4-chlorobenzoyl)piperazin-1-yl]-1-(2,3-dihydroindol-1-yl)propan-1-one
CID 24674722
4-chloro-5-[4-(2,2-diethoxyethyl)piperazin-1-yl]-2-phenylpyridazin-3-one
CID 75457249
4-chloro-5-[[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]amino]-2-(4-nitrophenyl)pyridazin-3-one
CID 133285027
1,4-bis(2,3-dihydroindol-1-yl)butane-1,4-dione
CID 741114

Frequently Asked Questions

What is the IUPAC name of 4-chloro-5-[4-[3-(2,3-dihydroindol-1-yl)-3-oxopropyl]piperazin-1-yl]-2-phenylpyridazin-3-one?
The IUPAC name of 4-chloro-5-[4-[3-(2,3-dihydroindol-1-yl)-3-oxopropyl]piperazin-1-yl]-2-phenylpyridazin-3-one (CID 31922389) is 4-chloro-5-[4-[3-(2,3-dihydroindol-1-yl)-3-oxopropyl]piperazin-1-yl]-2-phenylpyridazin-3-one.
What is the SMILES notation for 4-chloro-5-[4-[3-(2,3-dihydroindol-1-yl)-3-oxopropyl]piperazin-1-yl]-2-phenylpyridazin-3-one?
The canonical SMILES for 4-chloro-5-[4-[3-(2,3-dihydroindol-1-yl)-3-oxopropyl]piperazin-1-yl]-2-phenylpyridazin-3-one is O=C(CCN1CCN(c2cnn(-c3ccccc3)c(=O)c2Cl)CC1)N1CCc2ccccc21.
What is the InChIKey of 4-chloro-5-[4-[3-(2,3-dihydroindol-1-yl)-3-oxopropyl]piperazin-1-yl]-2-phenylpyridazin-3-one?
The InChIKey is AQFCWNYDFVPZEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26ClN5O2/c26-24-22(18-27-31(25(24)33)20-7-2-1-3-8-20)29-16-14-28(15-17-29)12-11-23(32)30-13-10-19-6-4-5-9-21(19)30/h1-9,18H,10-17H2.
What are the key properties of 4-chloro-5-[4-[3-(2,3-dihydroindol-1-yl)-3-oxopropyl]piperazin-1-yl]-2-phenylpyridazin-3-one?
4-chloro-5-[4-[3-(2,3-dihydroindol-1-yl)-3-oxopropyl]piperazin-1-yl]-2-phenylpyridazin-3-one has a molecular weight of 463.97 g/mol, XLogP of 2.99, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-5-[4-[3-(2,3-dihydroindol-1-yl)-3-oxopropyl]piperazin-1-yl]-2-phenylpyridazin-3-one is sourced from PubChem (CID 31922389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).