[4-[6-(4-methylpiperidin-1-yl)pyridazin-3-yl]piperazin-1-yl]-naphthalen-2-ylmethanone

C25H29N5O — CID 121053925

IUPAC[4-[6-(4-methylpiperidin-1-yl)pyridazin-3-yl]piperazin-1-yl]-naphthalen-2-ylmethanone
SMILESCC1CCN(c2ccc(N3CCN(C(=O)c4ccc5ccccc5c4)CC3)nn2)CC1
InChIInChI=1S/C25H29N5O/c1-19-10-12-28(13-11-19)23-8-9-24(27-26-23)29-14-16-30(17-15-29)25(31)22-7-6-20-4-2-3-5-21(20)18-22/h2-9,18-19H,10-17H2,1H3
InChIKeyQYMDIHSRYFKWPM-UHFFFAOYSA-N
MW415.54 g/mol
LogP3.83
Rot. Bonds3

About [4-[6-(4-methylpiperidin-1-yl)pyridazin-3-yl]piperazin-1-yl]-naphthalen-2-ylmethanone

[4-[6-(4-methylpiperidin-1-yl)pyridazin-3-yl]piperazin-1-yl]-naphthalen-2-ylmethanone (PubChem CID 121053925) has the molecular formula C25H29N5O and a molecular weight of 415.54 g/mol. Its IUPAC name is [4-[6-(4-methylpiperidin-1-yl)pyridazin-3-yl]piperazin-1-yl]-naphthalen-2-ylmethanone.

Molecular Properties

Compound Name[4-[6-(4-methylpiperidin-1-yl)pyridazin-3-yl]piperazin-1-yl]-naphthalen-2-ylmethanone
PubChem CID121053925
Molecular FormulaC25H29N5O
Molecular Weight415.54 g/mol
Exact Mass415.24
IUPAC Name[4-[6-(4-methylpiperidin-1-yl)pyridazin-3-yl]piperazin-1-yl]-naphthalen-2-ylmethanone
SMILESCC1CCN(c2ccc(N3CCN(C(=O)c4ccc5ccccc5c4)CC3)nn2)CC1
InChIInChI=1S/C25H29N5O/c1-19-10-12-28(13-11-19)23-8-9-24(27-26-23)29-14-16-30(17-15-29)25(31)22-7-6-20-4-2-3-5-21(20)18-22/h2-9,18-19H,10-17H2,1H3
InChIKeyQYMDIHSRYFKWPM-UHFFFAOYSA-N
XLogP3.83
TPSA52.57 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.54
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[4-(6-methylpyridazin-3-yl)piperazin-1-yl]-naphthalen-2-ylmethanone
CID 56699157
[4-[6-(2-methylpiperidin-1-yl)pyridazin-3-yl]piperazin-1-yl]-naphthalen-2-ylmethanone
CID 121053897
(4-methoxyphenyl)-[4-[6-(4-methylpiperidin-1-yl)pyridazin-3-yl]piperazin-1-yl]methanone
CID 121053460
naphthalen-2-yl-[4-(6-pyrrol-1-ylpyridazin-3-yl)piperazin-1-yl]methanone
CID 122341422
(4-tert-butylphenyl)-[4-[6-(4-methylpiperidin-1-yl)pyridazin-3-yl]piperazin-1-yl]methanone
CID 121053458
2,1,3-benzothiadiazol-5-yl-[4-[6-(4-methylpiperidin-1-yl)pyridazin-3-yl]piperazin-1-yl]methanone
CID 122336053
[4-[6-(diethylamino)pyridazin-3-yl]piperazin-1-yl]-naphthalen-2-ylmethanone
CID 121053870
[4-[6-(4-methylpiperidin-1-yl)pyridazin-3-yl]piperazin-1-yl]-(4-methylsulfanylphenyl)methanone
CID 122336160
[4-(dimethylamino)phenyl]-[4-[6-(4-methylpiperidin-1-yl)pyridazin-3-yl]piperazin-1-yl]methanone
CID 122336109
[4-[6-(4-methylpiperidin-1-yl)pyridazin-3-yl]piperazin-1-yl]-(4-nitrophenyl)methanone
CID 121053475
(6-cyclopentyloxy-3-pyridinyl)-[4-[6-(4-methylpiperidin-1-yl)pyridazin-3-yl]piperazin-1-yl]methanone
CID 122336194
(4-cyclopropylpiperazin-1-yl)-naphthalen-2-ylmethanone
CID 35280934

Frequently Asked Questions

What is the IUPAC name of [4-[6-(4-methylpiperidin-1-yl)pyridazin-3-yl]piperazin-1-yl]-naphthalen-2-ylmethanone?
The IUPAC name of [4-[6-(4-methylpiperidin-1-yl)pyridazin-3-yl]piperazin-1-yl]-naphthalen-2-ylmethanone (CID 121053925) is [4-[6-(4-methylpiperidin-1-yl)pyridazin-3-yl]piperazin-1-yl]-naphthalen-2-ylmethanone.
What is the SMILES notation for [4-[6-(4-methylpiperidin-1-yl)pyridazin-3-yl]piperazin-1-yl]-naphthalen-2-ylmethanone?
The canonical SMILES for [4-[6-(4-methylpiperidin-1-yl)pyridazin-3-yl]piperazin-1-yl]-naphthalen-2-ylmethanone is CC1CCN(c2ccc(N3CCN(C(=O)c4ccc5ccccc5c4)CC3)nn2)CC1.
What is the InChIKey of [4-[6-(4-methylpiperidin-1-yl)pyridazin-3-yl]piperazin-1-yl]-naphthalen-2-ylmethanone?
The InChIKey is QYMDIHSRYFKWPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N5O/c1-19-10-12-28(13-11-19)23-8-9-24(27-26-23)29-14-16-30(17-15-29)25(31)22-7-6-20-4-2-3-5-21(20)18-22/h2-9,18-19H,10-17H2,1H3.
What are the key properties of [4-[6-(4-methylpiperidin-1-yl)pyridazin-3-yl]piperazin-1-yl]-naphthalen-2-ylmethanone?
[4-[6-(4-methylpiperidin-1-yl)pyridazin-3-yl]piperazin-1-yl]-naphthalen-2-ylmethanone has a molecular weight of 415.54 g/mol, XLogP of 3.83, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[6-(4-methylpiperidin-1-yl)pyridazin-3-yl]piperazin-1-yl]-naphthalen-2-ylmethanone is sourced from PubChem (CID 121053925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).