(5-chloro-1,3-dihydroisoindol-2-yl)-(6-pyrrolidin-1-ylpyridazin-3-yl)methanone

C17H17ClN4O — CID 122152431

IUPAC(5-chloro-1,3-dihydroisoindol-2-yl)-(6-pyrrolidin-1-ylpyridazin-3-yl)methanone
SMILESO=C(c1ccc(N2CCCC2)nn1)N1Cc2ccc(Cl)cc2C1
InChIInChI=1S/C17H17ClN4O/c18-14-4-3-12-10-22(11-13(12)9-14)17(23)15-5-6-16(20-19-15)21-7-1-2-8-21/h3-6,9H,1-2,7-8,10-11H2
InChIKeyBOMSYWDVKCDHCU-UHFFFAOYSA-N
MW328.80 g/mol
LogP2.89
Rot. Bonds2

About (5-chloro-1,3-dihydroisoindol-2-yl)-(6-pyrrolidin-1-ylpyridazin-3-yl)methanone

(5-chloro-1,3-dihydroisoindol-2-yl)-(6-pyrrolidin-1-ylpyridazin-3-yl)methanone (PubChem CID 122152431) has the molecular formula C17H17ClN4O and a molecular weight of 328.80 g/mol. Its IUPAC name is (5-chloro-1,3-dihydroisoindol-2-yl)-(6-pyrrolidin-1-ylpyridazin-3-yl)methanone.

Molecular Properties

Compound Name(5-chloro-1,3-dihydroisoindol-2-yl)-(6-pyrrolidin-1-ylpyridazin-3-yl)methanone
PubChem CID122152431
Molecular FormulaC17H17ClN4O
Molecular Weight328.80 g/mol
Exact Mass328.11
IUPAC Name(5-chloro-1,3-dihydroisoindol-2-yl)-(6-pyrrolidin-1-ylpyridazin-3-yl)methanone
SMILESO=C(c1ccc(N2CCCC2)nn1)N1Cc2ccc(Cl)cc2C1
InChIInChI=1S/C17H17ClN4O/c18-14-4-3-12-10-22(11-13(12)9-14)17(23)15-5-6-16(20-19-15)21-7-1-2-8-21/h3-6,9H,1-2,7-8,10-11H2
InChIKeyBOMSYWDVKCDHCU-UHFFFAOYSA-N
XLogP2.89
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.80
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[4-(3-chlorophenyl)piperazin-1-yl]-(6-pyrrolidin-1-ylpyridazin-3-yl)methanone
CID 109111774
azepan-1-yl-[6-[4-(3-chlorophenyl)piperazin-1-yl]pyridazin-3-yl]methanone
CID 109124006
1-[4-(6-pyrrolidin-1-ylpyridazine-3-carbonyl)piperazin-1-yl]ethanone
CID 109111741
[6-(4-methylpiperazin-1-yl)pyridazin-3-yl]-pyrrolidin-1-ylmethanone
CID 109111898
(4-ethylpiperazin-1-yl)-(6-pyrrolidin-1-ylpyridazin-3-yl)methanone
CID 109111739
[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
[6-(4-ethylpiperazin-1-yl)pyridazin-3-yl]-pyrrolidin-1-ylmethanone
CID 109111899
N-(5-chloro-2-methylphenyl)-6-piperidin-1-ylpyridazine-3-carboxamide
CID 109112555
6-(azepan-1-yl)-N-(4-chloro-2-methylphenyl)pyridazine-3-carboxamide
CID 109126380
[6-(4-ethylpiperazin-1-yl)pyridazin-3-yl]-piperidin-1-ylmethanone
CID 109112634
3,4-dihydro-1H-isoquinolin-2-yl-[6-(4-methylpiperazin-1-yl)pyridazin-3-yl]methanone
CID 109116144

Frequently Asked Questions

What is the IUPAC name of (5-chloro-1,3-dihydroisoindol-2-yl)-(6-pyrrolidin-1-ylpyridazin-3-yl)methanone?
The IUPAC name of (5-chloro-1,3-dihydroisoindol-2-yl)-(6-pyrrolidin-1-ylpyridazin-3-yl)methanone (CID 122152431) is (5-chloro-1,3-dihydroisoindol-2-yl)-(6-pyrrolidin-1-ylpyridazin-3-yl)methanone.
What is the SMILES notation for (5-chloro-1,3-dihydroisoindol-2-yl)-(6-pyrrolidin-1-ylpyridazin-3-yl)methanone?
The canonical SMILES for (5-chloro-1,3-dihydroisoindol-2-yl)-(6-pyrrolidin-1-ylpyridazin-3-yl)methanone is O=C(c1ccc(N2CCCC2)nn1)N1Cc2ccc(Cl)cc2C1.
What is the InChIKey of (5-chloro-1,3-dihydroisoindol-2-yl)-(6-pyrrolidin-1-ylpyridazin-3-yl)methanone?
The InChIKey is BOMSYWDVKCDHCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClN4O/c18-14-4-3-12-10-22(11-13(12)9-14)17(23)15-5-6-16(20-19-15)21-7-1-2-8-21/h3-6,9H,1-2,7-8,10-11H2.
What are the key properties of (5-chloro-1,3-dihydroisoindol-2-yl)-(6-pyrrolidin-1-ylpyridazin-3-yl)methanone?
(5-chloro-1,3-dihydroisoindol-2-yl)-(6-pyrrolidin-1-ylpyridazin-3-yl)methanone has a molecular weight of 328.80 g/mol, XLogP of 2.89, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-chloro-1,3-dihydroisoindol-2-yl)-(6-pyrrolidin-1-ylpyridazin-3-yl)methanone is sourced from PubChem (CID 122152431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).