1-(6-indol-1-ylpyrimidin-4-yl)-N-[2-(6-oxopyridazin-1-yl)ethyl]piperidine-4-carboxamide

C24H25N7O2 — CID 72719837

IUPAC1-(6-indol-1-ylpyrimidin-4-yl)-N-[2-(6-oxopyridazin-1-yl)ethyl]piperidine-4-carboxamide
SMILESO=C(NCCn1ncccc1=O)C1CCN(c2cc(-n3ccc4ccccc43)ncn2)CC1
InChIInChI=1S/C24H25N7O2/c32-23-6-3-10-28-31(23)15-11-25-24(33)19-7-12-29(13-8-19)21-16-22(27-17-26-21)30-14-9-18-4-1-2-5-20(18)30/h1-6,9-10,14,16-17,19H,7-8,11-13,15H2,(H,25,33)
InChIKeyBZDCMRSWKOQAAF-UHFFFAOYSA-N
MW443.51 g/mol
LogP2.01
Rot. Bonds6

About 1-(6-indol-1-ylpyrimidin-4-yl)-N-[2-(6-oxopyridazin-1-yl)ethyl]piperidine-4-carboxamide

1-(6-indol-1-ylpyrimidin-4-yl)-N-[2-(6-oxopyridazin-1-yl)ethyl]piperidine-4-carboxamide (PubChem CID 72719837) has the molecular formula C24H25N7O2 and a molecular weight of 443.51 g/mol. Its IUPAC name is 1-(6-indol-1-ylpyrimidin-4-yl)-N-[2-(6-oxopyridazin-1-yl)ethyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(6-indol-1-ylpyrimidin-4-yl)-N-[2-(6-oxopyridazin-1-yl)ethyl]piperidine-4-carboxamide
PubChem CID72719837
Molecular FormulaC24H25N7O2
Molecular Weight443.51 g/mol
Exact Mass443.21
IUPAC Name1-(6-indol-1-ylpyrimidin-4-yl)-N-[2-(6-oxopyridazin-1-yl)ethyl]piperidine-4-carboxamide
SMILESO=C(NCCn1ncccc1=O)C1CCN(c2cc(-n3ccc4ccccc43)ncn2)CC1
InChIInChI=1S/C24H25N7O2/c32-23-6-3-10-28-31(23)15-11-25-24(33)19-7-12-29(13-8-19)21-16-22(27-17-26-21)30-14-9-18-4-1-2-5-20(18)30/h1-6,9-10,14,16-17,19H,7-8,11-13,15H2,(H,25,33)
InChIKeyBZDCMRSWKOQAAF-UHFFFAOYSA-N
XLogP2.01
TPSA97.94 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.51
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 1-(6-indol-1-ylpyrimidin-4-yl)-N-[2-(6-oxopyridazin-1-yl)ethyl]piperidine-4-carboxamide with MolForge

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Related Compounds

(3S)-1-(6-indol-1-ylpyrimidin-4-yl)-N-(2-pyrrol-1-ylethyl)piperidine-3-carboxamide
CID 97428773
N-[2-(6-oxopyridazin-1-yl)ethyl]-1-(6-pyrazol-1-ylpyrimidin-4-yl)azetidine-3-carboxamide
CID 121168767
(3R)-1-(6-indol-1-ylpyrimidin-4-yl)-N-pyrimidin-2-ylpiperidine-3-carboxamide
CID 97428768
(3S)-N-cyclopropyl-1-(6-indol-1-ylpyrimidin-4-yl)piperidine-3-carboxamide
CID 97428769
N-[2-(2-methylimidazol-1-yl)ethyl]-1-[6-(2-methylimidazol-1-yl)pyrimidin-4-yl]piperidine-4-carboxamide
CID 90520151
1-[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]-N-[3-(6-oxopyridazin-1-yl)propyl]piperidine-3-carboxamide
CID 90520957
1-(6-imidazol-1-ylpyrimidin-4-yl)-N-[2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)ethyl]piperidine-4-carboxamide
CID 90520440
N-[2-(3-methyl-6-oxopyridazin-1-yl)ethyl]-1-(6-pyrazol-1-ylpyrimidin-4-yl)azetidine-3-carboxamide
CID 119101017
N-[2-(4,5-dimethyl-6-oxopyrimidin-1-yl)ethyl]-1-(6-pyrazol-1-ylpyrimidin-4-yl)piperidine-4-carboxamide
CID 121120951
N-[2-(6-oxo-3-phenylpyridazin-1-yl)ethyl]-1-(6-pyrazol-1-ylpyrimidin-4-yl)piperidine-3-carboxamide
CID 90520683
1-cyclohexyl-3-[2-(3-indol-1-yl-6-oxopyridazin-1-yl)ethyl]urea
CID 71805315
1-(6-phenylpyrimidin-4-yl)-N-[2-(4-propylpiperazin-1-yl)ethyl]piperidine-4-carboxamide
CID 53062035

Frequently Asked Questions

What is the IUPAC name of 1-(6-indol-1-ylpyrimidin-4-yl)-N-[2-(6-oxopyridazin-1-yl)ethyl]piperidine-4-carboxamide?
The IUPAC name of 1-(6-indol-1-ylpyrimidin-4-yl)-N-[2-(6-oxopyridazin-1-yl)ethyl]piperidine-4-carboxamide (CID 72719837) is 1-(6-indol-1-ylpyrimidin-4-yl)-N-[2-(6-oxopyridazin-1-yl)ethyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-(6-indol-1-ylpyrimidin-4-yl)-N-[2-(6-oxopyridazin-1-yl)ethyl]piperidine-4-carboxamide?
The canonical SMILES for 1-(6-indol-1-ylpyrimidin-4-yl)-N-[2-(6-oxopyridazin-1-yl)ethyl]piperidine-4-carboxamide is O=C(NCCn1ncccc1=O)C1CCN(c2cc(-n3ccc4ccccc43)ncn2)CC1.
What is the InChIKey of 1-(6-indol-1-ylpyrimidin-4-yl)-N-[2-(6-oxopyridazin-1-yl)ethyl]piperidine-4-carboxamide?
The InChIKey is BZDCMRSWKOQAAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N7O2/c32-23-6-3-10-28-31(23)15-11-25-24(33)19-7-12-29(13-8-19)21-16-22(27-17-26-21)30-14-9-18-4-1-2-5-20(18)30/h1-6,9-10,14,16-17,19H,7-8,11-13,15H2,(H,25,33).
What are the key properties of 1-(6-indol-1-ylpyrimidin-4-yl)-N-[2-(6-oxopyridazin-1-yl)ethyl]piperidine-4-carboxamide?
1-(6-indol-1-ylpyrimidin-4-yl)-N-[2-(6-oxopyridazin-1-yl)ethyl]piperidine-4-carboxamide has a molecular weight of 443.51 g/mol, XLogP of 2.01, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-indol-1-ylpyrimidin-4-yl)-N-[2-(6-oxopyridazin-1-yl)ethyl]piperidine-4-carboxamide is sourced from PubChem (CID 72719837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).