8-[(4-chlorophenyl)methyl]-6-[[(2R)-1-methylpyrrolidin-2-yl]methyl]pyrido[2,3-d]pyridazin-5-one

C20H21ClN4O — CID 71458204

IUPAC8-[(4-chlorophenyl)methyl]-6-[[(2R)-1-methylpyrrolidin-2-yl]methyl]pyrido[2,3-d]pyridazin-5-one
SMILESCN1CCC[C@@H]1Cn1nc(Cc2ccc(Cl)cc2)c2ncccc2c1=O
InChIInChI=1S/C20H21ClN4O/c1-24-11-3-4-16(24)13-25-20(26)17-5-2-10-22-19(17)18(23-25)12-14-6-8-15(21)9-7-14/h2,5-10,16H,3-4,11-13H2,1H3/t16-/m1/s1
InChIKeyOUEZWZJJIKBFFV-MRXNPFEDSA-N
MW368.87 g/mol
LogP3.13
Rot. Bonds4

About 8-[(4-chlorophenyl)methyl]-6-[[(2R)-1-methylpyrrolidin-2-yl]methyl]pyrido[2,3-d]pyridazin-5-one

8-[(4-chlorophenyl)methyl]-6-[[(2R)-1-methylpyrrolidin-2-yl]methyl]pyrido[2,3-d]pyridazin-5-one (PubChem CID 71458204) has the molecular formula C20H21ClN4O and a molecular weight of 368.87 g/mol. Its IUPAC name is 8-[(4-chlorophenyl)methyl]-6-[[(2R)-1-methylpyrrolidin-2-yl]methyl]pyrido[2,3-d]pyridazin-5-one.

Molecular Properties

Compound Name8-[(4-chlorophenyl)methyl]-6-[[(2R)-1-methylpyrrolidin-2-yl]methyl]pyrido[2,3-d]pyridazin-5-one
PubChem CID71458204
Molecular FormulaC20H21ClN4O
Molecular Weight368.87 g/mol
Exact Mass368.14
IUPAC Name8-[(4-chlorophenyl)methyl]-6-[[(2R)-1-methylpyrrolidin-2-yl]methyl]pyrido[2,3-d]pyridazin-5-one
SMILESCN1CCC[C@@H]1Cn1nc(Cc2ccc(Cl)cc2)c2ncccc2c1=O
InChIInChI=1S/C20H21ClN4O/c1-24-11-3-4-16(24)13-25-20(26)17-5-2-10-22-19(17)18(23-25)12-14-6-8-15(21)9-7-14/h2,5-10,16H,3-4,11-13H2,1H3/t16-/m1/s1
InChIKeyOUEZWZJJIKBFFV-MRXNPFEDSA-N
XLogP3.13
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.87
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 8-[(4-chlorophenyl)methyl]-6-[[(2R)-1-methylpyrrolidin-2-yl]methyl]pyrido[2,3-d]pyridazin-5-one with MolForge

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Related Compounds

4-Chloro-benzoic acid (1-pyridin-2-yl-ethylidene)-hydrazide
CID 9590741
8-(3-Chlorophenyl)-6-(pyridin-4-ylmethyl)pyrido[2,3-d]pyridazin-5-one
CID 19700663
N'-[(1E)-1-(4-chlorophenyl)ethylidene]pyridine-2-carbohydrazide
CID 9615812
N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-1-phenyl-3-pyridin-3-ylpyrazole-4-carboxamide
CID 16324174
1-[(4-chlorophenyl)methyl]-3-[[(2R)-1-methylpyrrolidin-2-yl]methyl]pyrido[3,4-d]pyridazin-4-one
CID 71449250
7-[[(2R)-1-butylpyrrolidin-2-yl]methyl]-5-[(4-chlorophenyl)methyl]pyrido[2,3-d]pyridazin-8-one
CID 71451044
4-[(4-chlorophenyl)methyl]-2-[[(2R)-1-(2-methoxyethyl)pyrrolidin-2-yl]methyl]pyrido[3,4-d]pyridazin-1-one
CID 71452871
5-[(4-chlorophenyl)methyl]-7-[[(2R)-1-methylpyrrolidin-2-yl]methyl]pyrido[2,3-d]pyridazin-8-one
CID 71452872
6-[[(2R)-1-butylpyrrolidin-2-yl]methyl]-8-[(4-chlorophenyl)methyl]pyrido[2,3-d]pyridazin-5-one
CID 71454639
5-[(4-chlorophenyl)methyl]-7-[[(2R)-1-(2-methoxyethyl)pyrrolidin-2-yl]methyl]pyrido[2,3-d]pyridazin-8-one
CID 71456360
4-[(4-chlorophenyl)methyl]-2-[[(2R)-1-methylpyrrolidin-2-yl]methyl]pyrido[3,4-d]pyridazin-1-one
CID 71458203
8-[(4-chlorophenyl)methyl]-6-[[(2R)-1-(2-methoxyethyl)pyrrolidin-2-yl]methyl]pyrido[2,3-d]pyridazin-5-one
CID 71458205

Frequently Asked Questions

What is the IUPAC name of 8-[(4-chlorophenyl)methyl]-6-[[(2R)-1-methylpyrrolidin-2-yl]methyl]pyrido[2,3-d]pyridazin-5-one?
The IUPAC name of 8-[(4-chlorophenyl)methyl]-6-[[(2R)-1-methylpyrrolidin-2-yl]methyl]pyrido[2,3-d]pyridazin-5-one (CID 71458204) is 8-[(4-chlorophenyl)methyl]-6-[[(2R)-1-methylpyrrolidin-2-yl]methyl]pyrido[2,3-d]pyridazin-5-one.
What is the SMILES notation for 8-[(4-chlorophenyl)methyl]-6-[[(2R)-1-methylpyrrolidin-2-yl]methyl]pyrido[2,3-d]pyridazin-5-one?
The canonical SMILES for 8-[(4-chlorophenyl)methyl]-6-[[(2R)-1-methylpyrrolidin-2-yl]methyl]pyrido[2,3-d]pyridazin-5-one is CN1CCC[C@@H]1Cn1nc(Cc2ccc(Cl)cc2)c2ncccc2c1=O.
What is the InChIKey of 8-[(4-chlorophenyl)methyl]-6-[[(2R)-1-methylpyrrolidin-2-yl]methyl]pyrido[2,3-d]pyridazin-5-one?
The InChIKey is OUEZWZJJIKBFFV-MRXNPFEDSA-N. The full InChI is InChI=1S/C20H21ClN4O/c1-24-11-3-4-16(24)13-25-20(26)17-5-2-10-22-19(17)18(23-25)12-14-6-8-15(21)9-7-14/h2,5-10,16H,3-4,11-13H2,1H3/t16-/m1/s1.
What are the key properties of 8-[(4-chlorophenyl)methyl]-6-[[(2R)-1-methylpyrrolidin-2-yl]methyl]pyrido[2,3-d]pyridazin-5-one?
8-[(4-chlorophenyl)methyl]-6-[[(2R)-1-methylpyrrolidin-2-yl]methyl]pyrido[2,3-d]pyridazin-5-one has a molecular weight of 368.87 g/mol, XLogP of 3.13, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[(4-chlorophenyl)methyl]-6-[[(2R)-1-methylpyrrolidin-2-yl]methyl]pyrido[2,3-d]pyridazin-5-one is sourced from PubChem (CID 71458204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).