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

C25H29N5O3 — CID 121071483

IUPAC[1-[6-(furan-2-yl)pyridazin-3-yl]piperidin-3-yl]-[4-(3-methoxyphenyl)piperazin-1-yl]methanone
SMILESCOc1cccc(N2CCN(C(=O)C3CCCN(c4ccc(-c5ccco5)nn4)C3)CC2)c1
InChIInChI=1S/C25H29N5O3/c1-32-21-7-2-6-20(17-21)28-12-14-29(15-13-28)25(31)19-5-3-11-30(18-19)24-10-9-22(26-27-24)23-8-4-16-33-23/h2,4,6-10,16-17,19H,3,5,11-15,18H2,1H3
InChIKeyWQOIDTNFRLXAFT-UHFFFAOYSA-N
MW447.54 g/mol
LogP3.31
Rot. Bonds5

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

[1-[6-(furan-2-yl)pyridazin-3-yl]piperidin-3-yl]-[4-(3-methoxyphenyl)piperazin-1-yl]methanone (PubChem CID 121071483) has the molecular formula C25H29N5O3 and a molecular weight of 447.54 g/mol. Its IUPAC name is [1-[6-(furan-2-yl)pyridazin-3-yl]piperidin-3-yl]-[4-(3-methoxyphenyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name[1-[6-(furan-2-yl)pyridazin-3-yl]piperidin-3-yl]-[4-(3-methoxyphenyl)piperazin-1-yl]methanone
PubChem CID121071483
Molecular FormulaC25H29N5O3
Molecular Weight447.54 g/mol
Exact Mass447.23
IUPAC Name[1-[6-(furan-2-yl)pyridazin-3-yl]piperidin-3-yl]-[4-(3-methoxyphenyl)piperazin-1-yl]methanone
SMILESCOc1cccc(N2CCN(C(=O)C3CCCN(c4ccc(-c5ccco5)nn4)C3)CC2)c1
InChIInChI=1S/C25H29N5O3/c1-32-21-7-2-6-20(17-21)28-12-14-29(15-13-28)25(31)19-5-3-11-30(18-19)24-10-9-22(26-27-24)23-8-4-16-33-23/h2,4,6-10,16-17,19H,3,5,11-15,18H2,1H3
InChIKeyWQOIDTNFRLXAFT-UHFFFAOYSA-N
XLogP3.31
TPSA74.94 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.54
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze [1-[6-(furan-2-yl)pyridazin-3-yl]piperidin-3-yl]-[4-(3-methoxyphenyl)piperazin-1-yl]methanone with MolForge

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Related Compounds

ethyl 4-[(3R)-1-[6-(furan-2-yl)pyridazin-3-yl]piperidine-3-carbonyl]piperazine-1-carboxylate
CID 30866545
[4-(3-methoxyphenyl)piperazin-1-yl]-[1-(6-pyrrolidin-1-ylpyridazin-3-yl)piperidin-4-yl]methanone
CID 50771965
cyclopropyl-[4-[6-(furan-2-yl)pyridazin-3-yl]piperazin-1-yl]methanone
CID 40804993
[1-[6-(2-methoxyphenyl)pyridazin-3-yl]piperidin-3-yl]-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone
CID 121070472
[1-[6-(furan-2-yl)pyridazin-3-yl]piperidin-4-yl]-(4-methylpiperazin-1-yl)methanone
CID 30364279
[4-(3-methoxyphenyl)piperazin-1-yl]-[1-[6-(2-methoxyphenyl)pyridazin-3-yl]piperidin-4-yl]methanone
CID 121072002
[4-(4-chlorophenyl)piperazin-1-yl]-[1-[6-(furan-2-yl)pyridazin-3-yl]piperidin-4-yl]methanone
CID 121071687
[4-(3-methoxyphenyl)piperazin-1-yl]-[(3S)-1-(3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)piperidin-3-yl]methanone
CID 92706939
[4-(3-chlorophenyl)piperazin-1-yl]-[(3S)-1-[6-(4-ethylpiperazin-1-yl)pyridazin-3-yl]piperidin-3-yl]methanone
CID 92889606
[4-(furan-2-carbonyl)piperazin-1-yl]-[1-[6-(2-methylphenyl)pyridazin-3-yl]piperidin-3-yl]methanone
CID 121070612
[4-[6-(furan-2-yl)pyridazin-3-yl]piperazin-1-yl]-(4-methoxyphenyl)methanone
CID 16812511
[1-(6-methylpyridazin-3-yl)piperidin-3-yl]-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone
CID 121118531

Frequently Asked Questions

What is the IUPAC name of [1-[6-(furan-2-yl)pyridazin-3-yl]piperidin-3-yl]-[4-(3-methoxyphenyl)piperazin-1-yl]methanone?
The IUPAC name of [1-[6-(furan-2-yl)pyridazin-3-yl]piperidin-3-yl]-[4-(3-methoxyphenyl)piperazin-1-yl]methanone (CID 121071483) is [1-[6-(furan-2-yl)pyridazin-3-yl]piperidin-3-yl]-[4-(3-methoxyphenyl)piperazin-1-yl]methanone.
What is the SMILES notation for [1-[6-(furan-2-yl)pyridazin-3-yl]piperidin-3-yl]-[4-(3-methoxyphenyl)piperazin-1-yl]methanone?
The canonical SMILES for [1-[6-(furan-2-yl)pyridazin-3-yl]piperidin-3-yl]-[4-(3-methoxyphenyl)piperazin-1-yl]methanone is COc1cccc(N2CCN(C(=O)C3CCCN(c4ccc(-c5ccco5)nn4)C3)CC2)c1.
What is the InChIKey of [1-[6-(furan-2-yl)pyridazin-3-yl]piperidin-3-yl]-[4-(3-methoxyphenyl)piperazin-1-yl]methanone?
The InChIKey is WQOIDTNFRLXAFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N5O3/c1-32-21-7-2-6-20(17-21)28-12-14-29(15-13-28)25(31)19-5-3-11-30(18-19)24-10-9-22(26-27-24)23-8-4-16-33-23/h2,4,6-10,16-17,19H,3,5,11-15,18H2,1H3.
What are the key properties of [1-[6-(furan-2-yl)pyridazin-3-yl]piperidin-3-yl]-[4-(3-methoxyphenyl)piperazin-1-yl]methanone?
[1-[6-(furan-2-yl)pyridazin-3-yl]piperidin-3-yl]-[4-(3-methoxyphenyl)piperazin-1-yl]methanone has a molecular weight of 447.54 g/mol, XLogP of 3.31, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[6-(furan-2-yl)pyridazin-3-yl]piperidin-3-yl]-[4-(3-methoxyphenyl)piperazin-1-yl]methanone is sourced from PubChem (CID 121071483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).