1-[6-(furan-2-yl)pyridazin-3-yl]-N-[2-[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]oxyethyl]piperidine-3-carboxamide

C25H32N8O3 — CID 121071514

IUPAC1-[6-(furan-2-yl)pyridazin-3-yl]-N-[2-[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]oxyethyl]piperidine-3-carboxamide
SMILESCN1CCN(c2cc(OCCNC(=O)C3CCCN(c4ccc(-c5ccco5)nn4)C3)ncn2)CC1
InChIInChI=1S/C25H32N8O3/c1-31-10-12-32(13-11-31)23-16-24(28-18-27-23)36-15-8-26-25(34)19-4-2-9-33(17-19)22-7-6-20(29-30-22)21-5-3-14-35-21/h3,5-7,14,16,18-19H,2,4,8-13,15,17H2,1H3,(H,26,34)
InChIKeyIGJIAFHTCVIGSF-UHFFFAOYSA-N
MW492.58 g/mol
LogP1.69
Rot. Bonds8

About 1-[6-(furan-2-yl)pyridazin-3-yl]-N-[2-[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]oxyethyl]piperidine-3-carboxamide

1-[6-(furan-2-yl)pyridazin-3-yl]-N-[2-[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]oxyethyl]piperidine-3-carboxamide (PubChem CID 121071514) has the molecular formula C25H32N8O3 and a molecular weight of 492.58 g/mol. Its IUPAC name is 1-[6-(furan-2-yl)pyridazin-3-yl]-N-[2-[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]oxyethyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name1-[6-(furan-2-yl)pyridazin-3-yl]-N-[2-[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]oxyethyl]piperidine-3-carboxamide
PubChem CID121071514
Molecular FormulaC25H32N8O3
Molecular Weight492.58 g/mol
Exact Mass492.26
IUPAC Name1-[6-(furan-2-yl)pyridazin-3-yl]-N-[2-[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]oxyethyl]piperidine-3-carboxamide
SMILESCN1CCN(c2cc(OCCNC(=O)C3CCCN(c4ccc(-c5ccco5)nn4)C3)ncn2)CC1
InChIInChI=1S/C25H32N8O3/c1-31-10-12-32(13-11-31)23-16-24(28-18-27-23)36-15-8-26-25(34)19-4-2-9-33(17-19)22-7-6-20(29-30-22)21-5-3-14-35-21/h3,5-7,14,16,18-19H,2,4,8-13,15,17H2,1H3,(H,26,34)
InChIKeyIGJIAFHTCVIGSF-UHFFFAOYSA-N
XLogP1.69
TPSA112.75 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500492.58
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[2-[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]oxyethyl]-1-(6-methylpyridazin-3-yl)piperidine-3-carboxamide
CID 121118648
N-[2-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]ethyl]-1-[6-(furan-2-yl)pyridazin-3-yl]piperidine-3-carboxamide
CID 121071510
(3S)-1-[6-(furan-2-yl)pyridazin-3-yl]-N-(pyridin-2-ylmethyl)piperidine-3-carboxamide
CID 30866511
1-[6-(4-fluorophenyl)pyridazin-3-yl]-N-[2-(6-piperidin-1-ylpyrimidin-4-yl)oxyethyl]piperidine-4-carboxamide
CID 121072176
1-[6-(4-methoxyphenyl)pyridazin-3-yl]-N-[2-(4-methylphenoxy)ethyl]piperidine-3-carboxamide
CID 121071116
N-[(2-fluorophenyl)methyl]-1-[6-(furan-2-yl)pyridazin-3-yl]piperidine-3-carboxamide
CID 121071493
N-[2-(4-methoxyphenoxy)ethyl]-1-(6-thiophen-2-ylpyridazin-3-yl)piperidine-3-carboxamide
CID 121071367
1-[6-(furan-2-yl)pyridazin-3-yl]-N-[6-(1,2,4-triazol-1-yl)pyrimidin-4-yl]piperidine-3-carboxamide
CID 71805451
(3S)-N-(furan-2-ylmethyl)-1-(6-methoxypyridazin-3-yl)piperidine-3-carboxamide
CID 97264818
[1-[6-(furan-2-yl)pyridazin-3-yl]piperidin-3-yl]-[4-(3-methoxyphenyl)piperazin-1-yl]methanone
CID 121071483
1-[6-(3,4-dimethylphenyl)pyridazin-3-yl]-N-(2-methoxyethyl)piperidine-3-carboxamide
CID 53056955
ethyl 4-[(3R)-1-[6-(furan-2-yl)pyridazin-3-yl]piperidine-3-carbonyl]piperazine-1-carboxylate
CID 30866545

Frequently Asked Questions

What is the IUPAC name of 1-[6-(furan-2-yl)pyridazin-3-yl]-N-[2-[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]oxyethyl]piperidine-3-carboxamide?
The IUPAC name of 1-[6-(furan-2-yl)pyridazin-3-yl]-N-[2-[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]oxyethyl]piperidine-3-carboxamide (CID 121071514) is 1-[6-(furan-2-yl)pyridazin-3-yl]-N-[2-[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]oxyethyl]piperidine-3-carboxamide.
What is the SMILES notation for 1-[6-(furan-2-yl)pyridazin-3-yl]-N-[2-[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]oxyethyl]piperidine-3-carboxamide?
The canonical SMILES for 1-[6-(furan-2-yl)pyridazin-3-yl]-N-[2-[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]oxyethyl]piperidine-3-carboxamide is CN1CCN(c2cc(OCCNC(=O)C3CCCN(c4ccc(-c5ccco5)nn4)C3)ncn2)CC1.
What is the InChIKey of 1-[6-(furan-2-yl)pyridazin-3-yl]-N-[2-[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]oxyethyl]piperidine-3-carboxamide?
The InChIKey is IGJIAFHTCVIGSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32N8O3/c1-31-10-12-32(13-11-31)23-16-24(28-18-27-23)36-15-8-26-25(34)19-4-2-9-33(17-19)22-7-6-20(29-30-22)21-5-3-14-35-21/h3,5-7,14,16,18-19H,2,4,8-13,15,17H2,1H3,(H,26,34).
What are the key properties of 1-[6-(furan-2-yl)pyridazin-3-yl]-N-[2-[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]oxyethyl]piperidine-3-carboxamide?
1-[6-(furan-2-yl)pyridazin-3-yl]-N-[2-[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]oxyethyl]piperidine-3-carboxamide has a molecular weight of 492.58 g/mol, XLogP of 1.69, 8 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-(furan-2-yl)pyridazin-3-yl]-N-[2-[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]oxyethyl]piperidine-3-carboxamide is sourced from PubChem (CID 121071514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).