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(2-methoxy-3-pyridinyl)-[4-(6-pyrrol-1-ylpyridazin-3-yl)piperazin-1-yl]methanone

C19H20N6O2 — CID 122341656

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPAC(2-methoxy-3-pyridinyl)-[4-(6-pyrrol-1-ylpyridazin-3-yl)piperazin-1-yl]methanone
SMILESCOc1ncccc1C(=O)N1CCN(c2ccc(-n3cccc3)nn2)CC1
InChIInChI=1S/C19H20N6O2/c1-27-18-15(5-4-8-20-18)19(26)25-13-11-24(12-14-25)17-7-6-16(21-22-17)23-9-2-3-10-23/h2-10H,11-14H2,1H3
InChIKeyKEQNITPGGRKNGL-UHFFFAOYSA-N
MW364.41 g/mol
LogP1.63
Rot. Bonds4

About (2-methoxy-3-pyridinyl)-[4-(6-pyrrol-1-ylpyridazin-3-yl)piperazin-1-yl]methanone

(2-methoxy-3-pyridinyl)-[4-(6-pyrrol-1-ylpyridazin-3-yl)piperazin-1-yl]methanone (PubChem CID 122341656) has the molecular formula C19H20N6O2 and a molecular weight of 364.41 g/mol. Its IUPAC name is (2-methoxy-3-pyridinyl)-[4-(6-pyrrol-1-ylpyridazin-3-yl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name(2-methoxy-3-pyridinyl)-[4-(6-pyrrol-1-ylpyridazin-3-yl)piperazin-1-yl]methanone
PubChem CID122341656
Molecular FormulaC19H20N6O2
Molecular Weight364.41 g/mol
Exact Mass364.16
IUPAC Name(2-methoxy-3-pyridinyl)-[4-(6-pyrrol-1-ylpyridazin-3-yl)piperazin-1-yl]methanone
SMILESCOc1ncccc1C(=O)N1CCN(c2ccc(-n3cccc3)nn2)CC1
InChIInChI=1S/C19H20N6O2/c1-27-18-15(5-4-8-20-18)19(26)25-13-11-24(12-14-25)17-7-6-16(21-22-17)23-9-2-3-10-23/h2-10H,11-14H2,1H3
InChIKeyKEQNITPGGRKNGL-UHFFFAOYSA-N
XLogP1.63
TPSA76.38 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.41
LogP ≤ 51.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of (2-methoxy-3-pyridinyl)-[4-(6-pyrrol-1-ylpyridazin-3-yl)piperazin-1-yl]methanone?
The IUPAC name of (2-methoxy-3-pyridinyl)-[4-(6-pyrrol-1-ylpyridazin-3-yl)piperazin-1-yl]methanone (CID 122341656) is (2-methoxy-3-pyridinyl)-[4-(6-pyrrol-1-ylpyridazin-3-yl)piperazin-1-yl]methanone.
What is the SMILES notation for (2-methoxy-3-pyridinyl)-[4-(6-pyrrol-1-ylpyridazin-3-yl)piperazin-1-yl]methanone?
The canonical SMILES for (2-methoxy-3-pyridinyl)-[4-(6-pyrrol-1-ylpyridazin-3-yl)piperazin-1-yl]methanone is COc1ncccc1C(=O)N1CCN(c2ccc(-n3cccc3)nn2)CC1.
What is the InChIKey of (2-methoxy-3-pyridinyl)-[4-(6-pyrrol-1-ylpyridazin-3-yl)piperazin-1-yl]methanone?
The InChIKey is KEQNITPGGRKNGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N6O2/c1-27-18-15(5-4-8-20-18)19(26)25-13-11-24(12-14-25)17-7-6-16(21-22-17)23-9-2-3-10-23/h2-10H,11-14H2,1H3.
What are the key properties of (2-methoxy-3-pyridinyl)-[4-(6-pyrrol-1-ylpyridazin-3-yl)piperazin-1-yl]methanone?
(2-methoxy-3-pyridinyl)-[4-(6-pyrrol-1-ylpyridazin-3-yl)piperazin-1-yl]methanone has a molecular weight of 364.41 g/mol, XLogP of 1.63, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methoxy-3-pyridinyl)-[4-(6-pyrrol-1-ylpyridazin-3-yl)piperazin-1-yl]methanone is sourced from PubChem (CID 122341656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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