[4-[(1R,2R)-2-hydroxycyclopentyl]piperazin-1-yl]-(6-pyrrolidin-1-ylpyridazin-3-yl)methanone

C18H27N5O2 — CID 95759732

IUPAC[4-[(1R,2R)-2-hydroxycyclopentyl]piperazin-1-yl]-(6-pyrrolidin-1-ylpyridazin-3-yl)methanone
SMILESO=C(c1ccc(N2CCCC2)nn1)N1CCN([C@@H]2CCC[C@H]2O)CC1
InChIInChI=1S/C18H27N5O2/c24-16-5-3-4-15(16)21-10-12-23(13-11-21)18(25)14-6-7-17(20-19-14)22-8-1-2-9-22/h6-7,15-16,24H,1-5,8-13H2/t15-,16-/m1/s1
InChIKeyPQNFLVUTJKAWKY-HZPDHXFCSA-N
MW345.45 g/mol
LogP0.75
Rot. Bonds3

About [4-[(1R,2R)-2-hydroxycyclopentyl]piperazin-1-yl]-(6-pyrrolidin-1-ylpyridazin-3-yl)methanone

[4-[(1R,2R)-2-hydroxycyclopentyl]piperazin-1-yl]-(6-pyrrolidin-1-ylpyridazin-3-yl)methanone (PubChem CID 95759732) has the molecular formula C18H27N5O2 and a molecular weight of 345.45 g/mol. Its IUPAC name is [4-[(1R,2R)-2-hydroxycyclopentyl]piperazin-1-yl]-(6-pyrrolidin-1-ylpyridazin-3-yl)methanone.

Molecular Properties

Compound Name[4-[(1R,2R)-2-hydroxycyclopentyl]piperazin-1-yl]-(6-pyrrolidin-1-ylpyridazin-3-yl)methanone
PubChem CID95759732
Molecular FormulaC18H27N5O2
Molecular Weight345.45 g/mol
Exact Mass345.22
IUPAC Name[4-[(1R,2R)-2-hydroxycyclopentyl]piperazin-1-yl]-(6-pyrrolidin-1-ylpyridazin-3-yl)methanone
SMILESO=C(c1ccc(N2CCCC2)nn1)N1CCN([C@@H]2CCC[C@H]2O)CC1
InChIInChI=1S/C18H27N5O2/c24-16-5-3-4-15(16)21-10-12-23(13-11-21)18(25)14-6-7-17(20-19-14)22-8-1-2-9-22/h6-7,15-16,24H,1-5,8-13H2/t15-,16-/m1/s1
InChIKeyPQNFLVUTJKAWKY-HZPDHXFCSA-N
XLogP0.75
TPSA72.80 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.45
LogP ≤ 50.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [4-[(1R,2R)-2-hydroxycyclopentyl]piperazin-1-yl]-(6-pyrrolidin-1-ylpyridazin-3-yl)methanone with MolForge

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Related Compounds

1-[4-(6-pyrrolidin-1-ylpyridazine-3-carbonyl)piperazin-1-yl]ethanone
CID 109111741
[6-(dimethylamino)pyridazin-3-yl]-[4-[(1S,2R)-2-hydroxycyclopentyl]piperazin-1-yl]methanone
CID 95759729
[4-(6-methylpyridazin-3-yl)piperazin-1-yl]-(6-pyrrolidin-1-ylpyridazin-3-yl)methanone
CID 121027881
1-[4-[6-(pyrrolidine-1-carbonyl)pyridazin-3-yl]piperazin-1-yl]ethanone
CID 109111901
(4-ethylpiperazin-1-yl)-(6-pyrrolidin-1-ylpyridazin-3-yl)methanone
CID 109111739
1-[4-[4-(6-pyrrolidin-1-ylpyridazine-3-carbonyl)piperazin-1-yl]phenyl]ethanone
CID 121027795
[6-(4-methylpiperazin-1-yl)pyridazin-3-yl]-pyrrolidin-1-ylmethanone
CID 109111898
(3-aminopiperidin-1-yl)-(6-pyrrolidin-1-ylpyridazin-3-yl)methanone;dihydrochloride
CID 119381184
[4-(ethylaminomethyl)piperidin-1-yl]-(6-pyrrolidin-1-ylpyridazin-3-yl)methanone
CID 119647808
[6-[4-(4-fluorophenyl)piperazin-1-yl]pyridazin-3-yl]-pyrrolidin-1-ylmethanone
CID 109111932
[(3R)-3-(methylamino)piperidin-1-yl]-(6-pyrrolidin-1-ylpyridazin-3-yl)methanone
CID 124587818
(3-ethynylpiperidin-1-yl)-(6-pyrrolidin-1-ylpyridazin-3-yl)methanone
CID 126821251

Frequently Asked Questions

What is the IUPAC name of [4-[(1R,2R)-2-hydroxycyclopentyl]piperazin-1-yl]-(6-pyrrolidin-1-ylpyridazin-3-yl)methanone?
The IUPAC name of [4-[(1R,2R)-2-hydroxycyclopentyl]piperazin-1-yl]-(6-pyrrolidin-1-ylpyridazin-3-yl)methanone (CID 95759732) is [4-[(1R,2R)-2-hydroxycyclopentyl]piperazin-1-yl]-(6-pyrrolidin-1-ylpyridazin-3-yl)methanone.
What is the SMILES notation for [4-[(1R,2R)-2-hydroxycyclopentyl]piperazin-1-yl]-(6-pyrrolidin-1-ylpyridazin-3-yl)methanone?
The canonical SMILES for [4-[(1R,2R)-2-hydroxycyclopentyl]piperazin-1-yl]-(6-pyrrolidin-1-ylpyridazin-3-yl)methanone is O=C(c1ccc(N2CCCC2)nn1)N1CCN([C@@H]2CCC[C@H]2O)CC1.
What is the InChIKey of [4-[(1R,2R)-2-hydroxycyclopentyl]piperazin-1-yl]-(6-pyrrolidin-1-ylpyridazin-3-yl)methanone?
The InChIKey is PQNFLVUTJKAWKY-HZPDHXFCSA-N. The full InChI is InChI=1S/C18H27N5O2/c24-16-5-3-4-15(16)21-10-12-23(13-11-21)18(25)14-6-7-17(20-19-14)22-8-1-2-9-22/h6-7,15-16,24H,1-5,8-13H2/t15-,16-/m1/s1.
What are the key properties of [4-[(1R,2R)-2-hydroxycyclopentyl]piperazin-1-yl]-(6-pyrrolidin-1-ylpyridazin-3-yl)methanone?
[4-[(1R,2R)-2-hydroxycyclopentyl]piperazin-1-yl]-(6-pyrrolidin-1-ylpyridazin-3-yl)methanone has a molecular weight of 345.45 g/mol, XLogP of 0.75, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(1R,2R)-2-hydroxycyclopentyl]piperazin-1-yl]-(6-pyrrolidin-1-ylpyridazin-3-yl)methanone is sourced from PubChem (CID 95759732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).