furan-2-yl-[4-[6-(4-methylanilino)pyridazin-3-yl]piperazin-1-yl]methanone

C20H21N5O2 — CID 7178192

IUPACfuran-2-yl-[4-[6-(4-methylanilino)pyridazin-3-yl]piperazin-1-yl]methanone
SMILESCc1ccc(Nc2ccc(N3CCN(C(=O)c4ccco4)CC3)nn2)cc1
InChIInChI=1S/C20H21N5O2/c1-15-4-6-16(7-5-15)21-18-8-9-19(23-22-18)24-10-12-25(13-11-24)20(26)17-3-2-14-27-17/h2-9,14H,10-13H2,1H3,(H,21,22)
InChIKeyKXMCQGYMUSFOKP-UHFFFAOYSA-N
MW363.42 g/mol
LogP3.08
Rot. Bonds4

About furan-2-yl-[4-[6-(4-methylanilino)pyridazin-3-yl]piperazin-1-yl]methanone

furan-2-yl-[4-[6-(4-methylanilino)pyridazin-3-yl]piperazin-1-yl]methanone (PubChem CID 7178192) has the molecular formula C20H21N5O2 and a molecular weight of 363.42 g/mol. Its IUPAC name is furan-2-yl-[4-[6-(4-methylanilino)pyridazin-3-yl]piperazin-1-yl]methanone.

Molecular Properties

Compound Namefuran-2-yl-[4-[6-(4-methylanilino)pyridazin-3-yl]piperazin-1-yl]methanone
PubChem CID7178192
Molecular FormulaC20H21N5O2
Molecular Weight363.42 g/mol
Exact Mass363.17
IUPAC Namefuran-2-yl-[4-[6-(4-methylanilino)pyridazin-3-yl]piperazin-1-yl]methanone
SMILESCc1ccc(Nc2ccc(N3CCN(C(=O)c4ccco4)CC3)nn2)cc1
InChIInChI=1S/C20H21N5O2/c1-15-4-6-16(7-5-15)21-18-8-9-19(23-22-18)24-10-12-25(13-11-24)20(26)17-3-2-14-27-17/h2-9,14H,10-13H2,1H3,(H,21,22)
InChIKeyKXMCQGYMUSFOKP-UHFFFAOYSA-N
XLogP3.08
TPSA74.50 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.42
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[6-[4-(furan-2-carbonyl)piperazin-1-yl]pyridazin-3-yl]acetamide
CID 113043806
furan-2-yl-[4-[2-methyl-6-(4-methylanilino)pyrimidin-4-yl]piperazin-1-yl]methanone
CID 46267932
[4-[6-(4-methylanilino)pyridazin-3-yl]piperazin-1-yl]-phenylmethanone
CID 7178151
furan-2-yl-[4-[6-methyl-2-(4-methylanilino)pyrimidin-4-yl]piperazin-1-yl]methanone
CID 53047675
[4-[6-(azepan-1-yl)pyridazin-3-yl]piperazin-1-yl]-(furan-2-yl)methanone
CID 7292456
N-[6-[4-(furan-2-carbonyl)piperazin-1-yl]-3-pyridinyl]-4-methylbenzamide
CID 46041971
furan-2-yl-[4-(6-methoxypyridazin-3-yl)piperazin-1-yl]methanone
CID 16883392
[4-[6-(4-methylanilino)pyridazin-3-yl]piperazin-1-yl]-(4-nitrophenyl)methanone
CID 7178179
N-[6-(4-acetylpiperazin-1-yl)pyridazin-3-yl]furan-2-carboxamide
CID 113040547
2-(4-chlorophenyl)-1-[4-[6-(4-methylanilino)pyridazin-3-yl]piperazin-1-yl]ethanone
CID 7178188
[4-(furan-2-carbonyl)piperazin-1-yl]-[2-(4-methylanilino)pyrimidin-4-yl]methanone
CID 109310523
pyridin-4-yl-[4-[6-(pyridin-4-ylamino)pyridazin-3-yl]piperazin-1-yl]methanone
CID 122347828

Frequently Asked Questions

What is the IUPAC name of furan-2-yl-[4-[6-(4-methylanilino)pyridazin-3-yl]piperazin-1-yl]methanone?
The IUPAC name of furan-2-yl-[4-[6-(4-methylanilino)pyridazin-3-yl]piperazin-1-yl]methanone (CID 7178192) is furan-2-yl-[4-[6-(4-methylanilino)pyridazin-3-yl]piperazin-1-yl]methanone.
What is the SMILES notation for furan-2-yl-[4-[6-(4-methylanilino)pyridazin-3-yl]piperazin-1-yl]methanone?
The canonical SMILES for furan-2-yl-[4-[6-(4-methylanilino)pyridazin-3-yl]piperazin-1-yl]methanone is Cc1ccc(Nc2ccc(N3CCN(C(=O)c4ccco4)CC3)nn2)cc1.
What is the InChIKey of furan-2-yl-[4-[6-(4-methylanilino)pyridazin-3-yl]piperazin-1-yl]methanone?
The InChIKey is KXMCQGYMUSFOKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N5O2/c1-15-4-6-16(7-5-15)21-18-8-9-19(23-22-18)24-10-12-25(13-11-24)20(26)17-3-2-14-27-17/h2-9,14H,10-13H2,1H3,(H,21,22).
What are the key properties of furan-2-yl-[4-[6-(4-methylanilino)pyridazin-3-yl]piperazin-1-yl]methanone?
furan-2-yl-[4-[6-(4-methylanilino)pyridazin-3-yl]piperazin-1-yl]methanone has a molecular weight of 363.42 g/mol, XLogP of 3.08, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for furan-2-yl-[4-[6-(4-methylanilino)pyridazin-3-yl]piperazin-1-yl]methanone is sourced from PubChem (CID 7178192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).