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

C23H26N6O2 — CID 122341679

IUPAC(6-cyclopentyloxy-3-pyridinyl)-[4-(6-pyrrol-1-ylpyridazin-3-yl)piperazin-1-yl]methanone
SMILESO=C(c1ccc(OC2CCCC2)nc1)N1CCN(c2ccc(-n3cccc3)nn2)CC1
InChIInChI=1S/C23H26N6O2/c30-23(18-7-10-22(24-17-18)31-19-5-1-2-6-19)29-15-13-28(14-16-29)21-9-8-20(25-26-21)27-11-3-4-12-27/h3-4,7-12,17,19H,1-2,5-6,13-16H2
InChIKeyXYMJYSKOCQMMHD-UHFFFAOYSA-N
MW418.50 g/mol
LogP2.95
Rot. Bonds5

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

(6-cyclopentyloxy-3-pyridinyl)-[4-(6-pyrrol-1-ylpyridazin-3-yl)piperazin-1-yl]methanone (PubChem CID 122341679) has the molecular formula C23H26N6O2 and a molecular weight of 418.50 g/mol. Its IUPAC name is (6-cyclopentyloxy-3-pyridinyl)-[4-(6-pyrrol-1-ylpyridazin-3-yl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name(6-cyclopentyloxy-3-pyridinyl)-[4-(6-pyrrol-1-ylpyridazin-3-yl)piperazin-1-yl]methanone
PubChem CID122341679
Molecular FormulaC23H26N6O2
Molecular Weight418.50 g/mol
Exact Mass418.21
IUPAC Name(6-cyclopentyloxy-3-pyridinyl)-[4-(6-pyrrol-1-ylpyridazin-3-yl)piperazin-1-yl]methanone
SMILESO=C(c1ccc(OC2CCCC2)nc1)N1CCN(c2ccc(-n3cccc3)nn2)CC1
InChIInChI=1S/C23H26N6O2/c30-23(18-7-10-22(24-17-18)31-19-5-1-2-6-19)29-15-13-28(14-16-29)21-9-8-20(25-26-21)27-11-3-4-12-27/h3-4,7-12,17,19H,1-2,5-6,13-16H2
InChIKeyXYMJYSKOCQMMHD-UHFFFAOYSA-N
XLogP2.95
TPSA76.38 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.50
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze (6-cyclopentyloxy-3-pyridinyl)-[4-(6-pyrrol-1-ylpyridazin-3-yl)piperazin-1-yl]methanone with MolForge

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Launch Full Analysis

Related Compounds

(6-cyclopentyloxy-3-pyridinyl)-[4-[6-(4-methylpiperidin-1-yl)pyridazin-3-yl]piperazin-1-yl]methanone
CID 122336194
(6-cyclopentyloxy-3-pyridinyl)-[4-(6-piperidin-1-ylpyrimidin-4-yl)piperazin-1-yl]methanone
CID 122343117
(6-cyclopentyloxy-3-pyridinyl)-[4-[6-[(4-methyl-2-pyridinyl)amino]pyridazin-3-yl]piperazin-1-yl]methanone
CID 122346966
(6-methoxy-3-pyridinyl)-[4-(6-pyrrolidin-1-ylpyridazin-3-yl)piperazin-1-yl]methanone
CID 122334454
[4-(6-cyclohexyloxypyridazin-3-yl)piperazin-1-yl]-[4-(trifluoromethyl)phenyl]methanone
CID 30773742
6-cyclopentyloxy-N-[2-[(6-pyrrol-1-ylpyridazin-3-yl)amino]ethyl]pyridine-3-carboxamide
CID 122307519
(6-cyclopentyloxy-3-pyridinyl)-[4-(4-methyl-6-piperidin-1-ylpyrimidin-2-yl)piperazin-1-yl]methanone
CID 122333384
(6-cyclopentyloxy-3-pyridinyl)-[4-[4-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-2-yl]piperazin-1-yl]methanone
CID 122333876
(6-cyclopentyloxy-3-pyridinyl)-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methanone
CID 163346738
(4-ethoxyphenyl)-[4-(6-pyrrol-1-ylpyridazin-3-yl)piperazin-1-yl]methanone
CID 71799903
(4-phenylphenyl)-[4-(6-pyrrol-1-ylpyridazin-3-yl)piperazin-1-yl]methanone
CID 122341423
naphthalen-2-yl-[4-(6-pyrrol-1-ylpyridazin-3-yl)piperazin-1-yl]methanone
CID 122341422

Frequently Asked Questions

What is the IUPAC name of (6-cyclopentyloxy-3-pyridinyl)-[4-(6-pyrrol-1-ylpyridazin-3-yl)piperazin-1-yl]methanone?
The IUPAC name of (6-cyclopentyloxy-3-pyridinyl)-[4-(6-pyrrol-1-ylpyridazin-3-yl)piperazin-1-yl]methanone (CID 122341679) is (6-cyclopentyloxy-3-pyridinyl)-[4-(6-pyrrol-1-ylpyridazin-3-yl)piperazin-1-yl]methanone.
What is the SMILES notation for (6-cyclopentyloxy-3-pyridinyl)-[4-(6-pyrrol-1-ylpyridazin-3-yl)piperazin-1-yl]methanone?
The canonical SMILES for (6-cyclopentyloxy-3-pyridinyl)-[4-(6-pyrrol-1-ylpyridazin-3-yl)piperazin-1-yl]methanone is O=C(c1ccc(OC2CCCC2)nc1)N1CCN(c2ccc(-n3cccc3)nn2)CC1.
What is the InChIKey of (6-cyclopentyloxy-3-pyridinyl)-[4-(6-pyrrol-1-ylpyridazin-3-yl)piperazin-1-yl]methanone?
The InChIKey is XYMJYSKOCQMMHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N6O2/c30-23(18-7-10-22(24-17-18)31-19-5-1-2-6-19)29-15-13-28(14-16-29)21-9-8-20(25-26-21)27-11-3-4-12-27/h3-4,7-12,17,19H,1-2,5-6,13-16H2.
What are the key properties of (6-cyclopentyloxy-3-pyridinyl)-[4-(6-pyrrol-1-ylpyridazin-3-yl)piperazin-1-yl]methanone?
(6-cyclopentyloxy-3-pyridinyl)-[4-(6-pyrrol-1-ylpyridazin-3-yl)piperazin-1-yl]methanone has a molecular weight of 418.50 g/mol, XLogP of 2.95, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (6-cyclopentyloxy-3-pyridinyl)-[4-(6-pyrrol-1-ylpyridazin-3-yl)piperazin-1-yl]methanone is sourced from PubChem (CID 122341679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).