(6-ethoxy-3-pyridinyl)-[4-[6-(pyridin-2-ylamino)pyridazin-3-yl]piperazin-1-yl]methanone

C21H23N7O2 — CID 122347473

IUPAC(6-ethoxy-3-pyridinyl)-[4-[6-(pyridin-2-ylamino)pyridazin-3-yl]piperazin-1-yl]methanone
SMILESCCOc1ccc(C(=O)N2CCN(c3ccc(Nc4ccccn4)nn3)CC2)cn1
InChIInChI=1S/C21H23N7O2/c1-2-30-20-9-6-16(15-23-20)21(29)28-13-11-27(12-14-28)19-8-7-18(25-26-19)24-17-5-3-4-10-22-17/h3-10,15H,2,11-14H2,1H3,(H,22,24,25)
InChIKeySPBYOCCQUFRAHO-UHFFFAOYSA-N
MW405.46 g/mol
LogP2.37
Rot. Bonds6

About (6-ethoxy-3-pyridinyl)-[4-[6-(pyridin-2-ylamino)pyridazin-3-yl]piperazin-1-yl]methanone

(6-ethoxy-3-pyridinyl)-[4-[6-(pyridin-2-ylamino)pyridazin-3-yl]piperazin-1-yl]methanone (PubChem CID 122347473) has the molecular formula C21H23N7O2 and a molecular weight of 405.46 g/mol. Its IUPAC name is (6-ethoxy-3-pyridinyl)-[4-[6-(pyridin-2-ylamino)pyridazin-3-yl]piperazin-1-yl]methanone.

Molecular Properties

Compound Name(6-ethoxy-3-pyridinyl)-[4-[6-(pyridin-2-ylamino)pyridazin-3-yl]piperazin-1-yl]methanone
PubChem CID122347473
Molecular FormulaC21H23N7O2
Molecular Weight405.46 g/mol
Exact Mass405.19
IUPAC Name(6-ethoxy-3-pyridinyl)-[4-[6-(pyridin-2-ylamino)pyridazin-3-yl]piperazin-1-yl]methanone
SMILESCCOc1ccc(C(=O)N2CCN(c3ccc(Nc4ccccn4)nn3)CC2)cn1
InChIInChI=1S/C21H23N7O2/c1-2-30-20-9-6-16(15-23-20)21(29)28-13-11-27(12-14-28)19-8-7-18(25-26-19)24-17-5-3-4-10-22-17/h3-10,15H,2,11-14H2,1H3,(H,22,24,25)
InChIKeySPBYOCCQUFRAHO-UHFFFAOYSA-N
XLogP2.37
TPSA96.37 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.46
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze (6-ethoxy-3-pyridinyl)-[4-[6-(pyridin-2-ylamino)pyridazin-3-yl]piperazin-1-yl]methanone with MolForge

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Related Compounds

pyridin-3-yl-[4-[6-(pyridin-2-ylamino)pyridazin-3-yl]piperazin-1-yl]methanone
CID 122347312
(6-methoxy-3-pyridinyl)-[4-[6-[(4-methyl-2-pyridinyl)amino]pyridazin-3-yl]piperazin-1-yl]methanone
CID 122346962
(5-methylpyrazin-2-yl)-[4-[6-(pyridin-2-ylamino)pyridazin-3-yl]piperazin-1-yl]methanone
CID 122347475
[4-[6-(pyridin-2-ylamino)pyridazin-3-yl]piperazin-1-yl]-[3-(trifluoromethyl)phenyl]methanone
CID 56699985
(6-cyclopentyloxy-3-pyridinyl)-[4-[6-[(4-methyl-2-pyridinyl)amino]pyridazin-3-yl]piperazin-1-yl]methanone
CID 122346966
[4-[6-[(5-methyl-2-pyridinyl)amino]pyridazin-3-yl]piperazin-1-yl]-phenylmethanone
CID 70702478
2-phenyl-1-[4-[6-(pyridin-2-ylamino)pyridazin-3-yl]piperazin-1-yl]ethanone
CID 56699859
[4-[6-(pyridin-2-ylamino)pyridazin-3-yl]piperazin-1-yl]-(2,4,5-trifluoro-3-methoxyphenyl)methanone
CID 122347436
3-phenyl-1-[4-[6-(pyridin-2-ylamino)pyridazin-3-yl]piperazin-1-yl]propan-1-one
CID 56699361
oxolan-3-yl-[4-[6-(pyridin-2-ylamino)pyridazin-3-yl]piperazin-1-yl]methanone
CID 122347425
(6-methoxy-3-pyridinyl)-[4-(6-pyrrolidin-1-ylpyridazin-3-yl)piperazin-1-yl]methanone
CID 122334454
(6-ethoxy-3-pyridinyl)-[4-(2-pyrrolidin-1-ylpyrimidin-4-yl)piperazin-1-yl]methanone
CID 122343885

Frequently Asked Questions

What is the IUPAC name of (6-ethoxy-3-pyridinyl)-[4-[6-(pyridin-2-ylamino)pyridazin-3-yl]piperazin-1-yl]methanone?
The IUPAC name of (6-ethoxy-3-pyridinyl)-[4-[6-(pyridin-2-ylamino)pyridazin-3-yl]piperazin-1-yl]methanone (CID 122347473) is (6-ethoxy-3-pyridinyl)-[4-[6-(pyridin-2-ylamino)pyridazin-3-yl]piperazin-1-yl]methanone.
What is the SMILES notation for (6-ethoxy-3-pyridinyl)-[4-[6-(pyridin-2-ylamino)pyridazin-3-yl]piperazin-1-yl]methanone?
The canonical SMILES for (6-ethoxy-3-pyridinyl)-[4-[6-(pyridin-2-ylamino)pyridazin-3-yl]piperazin-1-yl]methanone is CCOc1ccc(C(=O)N2CCN(c3ccc(Nc4ccccn4)nn3)CC2)cn1.
What is the InChIKey of (6-ethoxy-3-pyridinyl)-[4-[6-(pyridin-2-ylamino)pyridazin-3-yl]piperazin-1-yl]methanone?
The InChIKey is SPBYOCCQUFRAHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N7O2/c1-2-30-20-9-6-16(15-23-20)21(29)28-13-11-27(12-14-28)19-8-7-18(25-26-19)24-17-5-3-4-10-22-17/h3-10,15H,2,11-14H2,1H3,(H,22,24,25).
What are the key properties of (6-ethoxy-3-pyridinyl)-[4-[6-(pyridin-2-ylamino)pyridazin-3-yl]piperazin-1-yl]methanone?
(6-ethoxy-3-pyridinyl)-[4-[6-(pyridin-2-ylamino)pyridazin-3-yl]piperazin-1-yl]methanone has a molecular weight of 405.46 g/mol, XLogP of 2.37, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (6-ethoxy-3-pyridinyl)-[4-[6-(pyridin-2-ylamino)pyridazin-3-yl]piperazin-1-yl]methanone is sourced from PubChem (CID 122347473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).