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

C20H21ClN4O — CID 71449250

IUPAC1-[(4-chlorophenyl)methyl]-3-[[(2R)-1-methylpyrrolidin-2-yl]methyl]pyrido[3,4-d]pyridazin-4-one
SMILESCN1CCC[C@@H]1Cn1nc(Cc2ccc(Cl)cc2)c2ccncc2c1=O
InChIInChI=1S/C20H21ClN4O/c1-24-10-2-3-16(24)13-25-20(26)18-12-22-9-8-17(18)19(23-25)11-14-4-6-15(21)7-5-14/h4-9,12,16H,2-3,10-11,13H2,1H3/t16-/m1/s1
InChIKeyRZBPSXCZVILRNE-MRXNPFEDSA-N
MW368.87 g/mol
LogP3.13
Rot. Bonds4

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

1-[(4-chlorophenyl)methyl]-3-[[(2R)-1-methylpyrrolidin-2-yl]methyl]pyrido[3,4-d]pyridazin-4-one (PubChem CID 71449250) has the molecular formula C20H21ClN4O and a molecular weight of 368.87 g/mol. Its IUPAC name is 1-[(4-chlorophenyl)methyl]-3-[[(2R)-1-methylpyrrolidin-2-yl]methyl]pyrido[3,4-d]pyridazin-4-one.

Molecular Properties

Compound Name1-[(4-chlorophenyl)methyl]-3-[[(2R)-1-methylpyrrolidin-2-yl]methyl]pyrido[3,4-d]pyridazin-4-one
PubChem CID71449250
Molecular FormulaC20H21ClN4O
Molecular Weight368.87 g/mol
Exact Mass368.14
IUPAC Name1-[(4-chlorophenyl)methyl]-3-[[(2R)-1-methylpyrrolidin-2-yl]methyl]pyrido[3,4-d]pyridazin-4-one
SMILESCN1CCC[C@@H]1Cn1nc(Cc2ccc(Cl)cc2)c2ccncc2c1=O
InChIInChI=1S/C20H21ClN4O/c1-24-10-2-3-16(24)13-25-20(26)18-12-22-9-8-17(18)19(23-25)11-14-4-6-15(21)7-5-14/h4-9,12,16H,2-3,10-11,13H2,1H3/t16-/m1/s1
InChIKeyRZBPSXCZVILRNE-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

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Frequently Asked Questions

What is the IUPAC name of 1-[(4-chlorophenyl)methyl]-3-[[(2R)-1-methylpyrrolidin-2-yl]methyl]pyrido[3,4-d]pyridazin-4-one?
The IUPAC name of 1-[(4-chlorophenyl)methyl]-3-[[(2R)-1-methylpyrrolidin-2-yl]methyl]pyrido[3,4-d]pyridazin-4-one (CID 71449250) is 1-[(4-chlorophenyl)methyl]-3-[[(2R)-1-methylpyrrolidin-2-yl]methyl]pyrido[3,4-d]pyridazin-4-one.
What is the SMILES notation for 1-[(4-chlorophenyl)methyl]-3-[[(2R)-1-methylpyrrolidin-2-yl]methyl]pyrido[3,4-d]pyridazin-4-one?
The canonical SMILES for 1-[(4-chlorophenyl)methyl]-3-[[(2R)-1-methylpyrrolidin-2-yl]methyl]pyrido[3,4-d]pyridazin-4-one is CN1CCC[C@@H]1Cn1nc(Cc2ccc(Cl)cc2)c2ccncc2c1=O.
What is the InChIKey of 1-[(4-chlorophenyl)methyl]-3-[[(2R)-1-methylpyrrolidin-2-yl]methyl]pyrido[3,4-d]pyridazin-4-one?
The InChIKey is RZBPSXCZVILRNE-MRXNPFEDSA-N. The full InChI is InChI=1S/C20H21ClN4O/c1-24-10-2-3-16(24)13-25-20(26)18-12-22-9-8-17(18)19(23-25)11-14-4-6-15(21)7-5-14/h4-9,12,16H,2-3,10-11,13H2,1H3/t16-/m1/s1.
What are the key properties of 1-[(4-chlorophenyl)methyl]-3-[[(2R)-1-methylpyrrolidin-2-yl]methyl]pyrido[3,4-d]pyridazin-4-one?
1-[(4-chlorophenyl)methyl]-3-[[(2R)-1-methylpyrrolidin-2-yl]methyl]pyrido[3,4-d]pyridazin-4-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 1-[(4-chlorophenyl)methyl]-3-[[(2R)-1-methylpyrrolidin-2-yl]methyl]pyrido[3,4-d]pyridazin-4-one is sourced from PubChem (CID 71449250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).