5-[(4-chlorophenyl)methyl]-7-[[(2R)-1-methylpyrrolidin-2-yl]methyl]pyrido[2,3-d]pyridazin-8-one

C20H21ClN4O — CID 71452872

IUPAC5-[(4-chlorophenyl)methyl]-7-[[(2R)-1-methylpyrrolidin-2-yl]methyl]pyrido[2,3-d]pyridazin-8-one
SMILESCN1CCC[C@@H]1Cn1nc(Cc2ccc(Cl)cc2)c2cccnc2c1=O
InChIInChI=1S/C20H21ClN4O/c1-24-11-3-4-16(24)13-25-20(26)19-17(5-2-10-22-19)18(23-25)12-14-6-8-15(21)9-7-14/h2,5-10,16H,3-4,11-13H2,1H3/t16-/m1/s1
InChIKeySXNOWQCFHNZUIX-MRXNPFEDSA-N
MW368.87 g/mol
LogP3.13
Rot. Bonds4

About 5-[(4-chlorophenyl)methyl]-7-[[(2R)-1-methylpyrrolidin-2-yl]methyl]pyrido[2,3-d]pyridazin-8-one

5-[(4-chlorophenyl)methyl]-7-[[(2R)-1-methylpyrrolidin-2-yl]methyl]pyrido[2,3-d]pyridazin-8-one (PubChem CID 71452872) has the molecular formula C20H21ClN4O and a molecular weight of 368.87 g/mol. Its IUPAC name is 5-[(4-chlorophenyl)methyl]-7-[[(2R)-1-methylpyrrolidin-2-yl]methyl]pyrido[2,3-d]pyridazin-8-one.

Molecular Properties

Compound Name5-[(4-chlorophenyl)methyl]-7-[[(2R)-1-methylpyrrolidin-2-yl]methyl]pyrido[2,3-d]pyridazin-8-one
PubChem CID71452872
Molecular FormulaC20H21ClN4O
Molecular Weight368.87 g/mol
Exact Mass368.14
IUPAC Name5-[(4-chlorophenyl)methyl]-7-[[(2R)-1-methylpyrrolidin-2-yl]methyl]pyrido[2,3-d]pyridazin-8-one
SMILESCN1CCC[C@@H]1Cn1nc(Cc2ccc(Cl)cc2)c2cccnc2c1=O
InChIInChI=1S/C20H21ClN4O/c1-24-11-3-4-16(24)13-25-20(26)19-17(5-2-10-22-19)18(23-25)12-14-6-8-15(21)9-7-14/h2,5-10,16H,3-4,11-13H2,1H3/t16-/m1/s1
InChIKeySXNOWQCFHNZUIX-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 5-[(4-chlorophenyl)methyl]-7-[[(2R)-1-methylpyrrolidin-2-yl]methyl]pyrido[2,3-d]pyridazin-8-one?
The IUPAC name of 5-[(4-chlorophenyl)methyl]-7-[[(2R)-1-methylpyrrolidin-2-yl]methyl]pyrido[2,3-d]pyridazin-8-one (CID 71452872) is 5-[(4-chlorophenyl)methyl]-7-[[(2R)-1-methylpyrrolidin-2-yl]methyl]pyrido[2,3-d]pyridazin-8-one.
What is the SMILES notation for 5-[(4-chlorophenyl)methyl]-7-[[(2R)-1-methylpyrrolidin-2-yl]methyl]pyrido[2,3-d]pyridazin-8-one?
The canonical SMILES for 5-[(4-chlorophenyl)methyl]-7-[[(2R)-1-methylpyrrolidin-2-yl]methyl]pyrido[2,3-d]pyridazin-8-one is CN1CCC[C@@H]1Cn1nc(Cc2ccc(Cl)cc2)c2cccnc2c1=O.
What is the InChIKey of 5-[(4-chlorophenyl)methyl]-7-[[(2R)-1-methylpyrrolidin-2-yl]methyl]pyrido[2,3-d]pyridazin-8-one?
The InChIKey is SXNOWQCFHNZUIX-MRXNPFEDSA-N. The full InChI is InChI=1S/C20H21ClN4O/c1-24-11-3-4-16(24)13-25-20(26)19-17(5-2-10-22-19)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 5-[(4-chlorophenyl)methyl]-7-[[(2R)-1-methylpyrrolidin-2-yl]methyl]pyrido[2,3-d]pyridazin-8-one?
5-[(4-chlorophenyl)methyl]-7-[[(2R)-1-methylpyrrolidin-2-yl]methyl]pyrido[2,3-d]pyridazin-8-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 5-[(4-chlorophenyl)methyl]-7-[[(2R)-1-methylpyrrolidin-2-yl]methyl]pyrido[2,3-d]pyridazin-8-one is sourced from PubChem (CID 71452872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).