4-chloro-2-phenyl-5-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]pyridazin-3-one

C20H25ClN4O — CID 133317828

IUPAC4-chloro-2-phenyl-5-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]pyridazin-3-one
SMILESO=c1c(Cl)c(N2CCC(CN3CCCC3)CC2)cnn1-c1ccccc1
InChIInChI=1S/C20H25ClN4O/c21-19-18(14-22-25(20(19)26)17-6-2-1-3-7-17)24-12-8-16(9-13-24)15-23-10-4-5-11-23/h1-3,6-7,14,16H,4-5,8-13,15H2
InChIKeyNSJKCAKRYAZCSW-UHFFFAOYSA-N
MW372.90 g/mol
LogP3.20
Rot. Bonds4

About 4-chloro-2-phenyl-5-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]pyridazin-3-one

4-chloro-2-phenyl-5-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]pyridazin-3-one (PubChem CID 133317828) has the molecular formula C20H25ClN4O and a molecular weight of 372.90 g/mol. Its IUPAC name is 4-chloro-2-phenyl-5-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]pyridazin-3-one.

Molecular Properties

Compound Name4-chloro-2-phenyl-5-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]pyridazin-3-one
PubChem CID133317828
Molecular FormulaC20H25ClN4O
Molecular Weight372.90 g/mol
Exact Mass372.17
IUPAC Name4-chloro-2-phenyl-5-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]pyridazin-3-one
SMILESO=c1c(Cl)c(N2CCC(CN3CCCC3)CC2)cnn1-c1ccccc1
InChIInChI=1S/C20H25ClN4O/c21-19-18(14-22-25(20(19)26)17-6-2-1-3-7-17)24-12-8-16(9-13-24)15-23-10-4-5-11-23/h1-3,6-7,14,16H,4-5,8-13,15H2
InChIKeyNSJKCAKRYAZCSW-UHFFFAOYSA-N
XLogP3.20
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.90
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-benzyl-4-chloro-5-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]pyridazin-3-one
CID 133317765
4,5-dichloro-2-[3-chloro-4-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]phenyl]pyridazin-3-one
CID 133317815
4-chloro-5-(4-ethoxypiperidin-1-yl)-2-phenylpyridazin-3-one
CID 133271354
5-[4-(azepane-1-carbonyl)piperidin-1-yl]-4-chloro-2-phenylpyridazin-3-one
CID 9206668
ethyl 1-(5-chloro-6-oxo-1-phenylpyridazin-4-yl)piperidine-4-carboxylate
CID 9280161
4-chloro-5-[4-[2-(2,6-dimethylmorpholin-4-yl)ethyl]piperidin-1-yl]-2-phenylpyridazin-3-one
CID 133338550
4-chloro-5-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]-2-phenylpyridazin-3-one
CID 46529673
4-chloro-2-phenyl-5-[4-(1,2,4-triazol-1-yl)piperidin-1-yl]pyridazin-3-one
CID 133306124
4-chloro-5-[4-(oxolan-3-ylmethoxy)piperidin-1-yl]-2-phenylpyridazin-3-one
CID 133453106
4-chloro-5-[4-(2-methoxyethyl)piperazin-1-yl]-2-phenylpyridazin-3-one
CID 31921656
4-chloro-5-[4-(2,2-diethoxyethyl)piperazin-1-yl]-2-phenylpyridazin-3-one
CID 75457249
4-chloro-2-phenyl-5-[4-(2,2,3,3-tetrafluoropropyl)piperazin-1-yl]pyridazin-3-one
CID 133314120

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-phenyl-5-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]pyridazin-3-one?
The IUPAC name of 4-chloro-2-phenyl-5-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]pyridazin-3-one (CID 133317828) is 4-chloro-2-phenyl-5-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]pyridazin-3-one.
What is the SMILES notation for 4-chloro-2-phenyl-5-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]pyridazin-3-one?
The canonical SMILES for 4-chloro-2-phenyl-5-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]pyridazin-3-one is O=c1c(Cl)c(N2CCC(CN3CCCC3)CC2)cnn1-c1ccccc1.
What is the InChIKey of 4-chloro-2-phenyl-5-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]pyridazin-3-one?
The InChIKey is NSJKCAKRYAZCSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25ClN4O/c21-19-18(14-22-25(20(19)26)17-6-2-1-3-7-17)24-12-8-16(9-13-24)15-23-10-4-5-11-23/h1-3,6-7,14,16H,4-5,8-13,15H2.
What are the key properties of 4-chloro-2-phenyl-5-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]pyridazin-3-one?
4-chloro-2-phenyl-5-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]pyridazin-3-one has a molecular weight of 372.90 g/mol, XLogP of 3.20, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-phenyl-5-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]pyridazin-3-one is sourced from PubChem (CID 133317828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).