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

C19H20N6O2 — CID 122341656

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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Related Compounds

[4-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]piperazin-1-yl]-(2-methoxy-3-pyridinyl)methanone
CID 122339313
(2,3-dimethoxyphenyl)-[4-(6-pyrrol-1-ylpyridazin-3-yl)piperazin-1-yl]methanone
CID 71799904
4-(2-methoxypyridine-3-carbonyl)piperazine-1-sulfonamide
CID 62876001
[4-[6-(dimethylamino)-2-methylpyrimidin-4-yl]piperazin-1-yl]-(2-methoxy-3-pyridinyl)methanone
CID 122340350
(2-methoxy-3-pyridinyl)-[4-(5-morpholin-4-ylpyridazin-3-yl)piperazin-1-yl]methanone
CID 122355432
[4-[6-(3,4-dimethoxyphenyl)pyridazin-3-yl]piperazin-1-yl]-(2-ethoxy-3-pyridinyl)methanone
CID 42110699
(2-methoxy-3-pyridinyl)-(4-methylpiperidin-1-yl)methanone
CID 110849089
(2-chloro-3-pyridinyl)-[4-(6-imidazol-1-ylpyridazin-3-yl)piperazin-1-yl]methanone
CID 90539357
(4,4-difluoropiperidin-1-yl)-(2-methoxy-3-pyridinyl)methanone
CID 121184561
[4-(2-ethoxyphenyl)piperazin-1-yl]-(2-methoxy-3-pyridinyl)methanone
CID 134062153
[4-(azetidin-3-yl)piperazin-1-yl]-(2-methoxy-3-pyridinyl)methanone
CID 66201560
2-[4-(2-methoxypyridine-3-carbonyl)piperazin-1-yl]propanoic acid
CID 62317950

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).