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

C20H21ClN4O — CID 71458203

IUPAC4-[(4-chlorophenyl)methyl]-2-[[(2R)-1-methylpyrrolidin-2-yl]methyl]pyrido[3,4-d]pyridazin-1-one
SMILESCN1CCC[C@@H]1Cn1nc(Cc2ccc(Cl)cc2)c2cnccc2c1=O
InChIInChI=1S/C20H21ClN4O/c1-24-10-2-3-16(24)13-25-20(26)17-8-9-22-12-18(17)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
InChIKeyHRSYZRFBUGIVHN-MRXNPFEDSA-N
MW368.87 g/mol
LogP3.13
Rot. Bonds4

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

4-[(4-chlorophenyl)methyl]-2-[[(2R)-1-methylpyrrolidin-2-yl]methyl]pyrido[3,4-d]pyridazin-1-one (PubChem CID 71458203) has the molecular formula C20H21ClN4O and a molecular weight of 368.87 g/mol. Its IUPAC name is 4-[(4-chlorophenyl)methyl]-2-[[(2R)-1-methylpyrrolidin-2-yl]methyl]pyrido[3,4-d]pyridazin-1-one.

Molecular Properties

Compound Name4-[(4-chlorophenyl)methyl]-2-[[(2R)-1-methylpyrrolidin-2-yl]methyl]pyrido[3,4-d]pyridazin-1-one
PubChem CID71458203
Molecular FormulaC20H21ClN4O
Molecular Weight368.87 g/mol
Exact Mass368.14
IUPAC Name4-[(4-chlorophenyl)methyl]-2-[[(2R)-1-methylpyrrolidin-2-yl]methyl]pyrido[3,4-d]pyridazin-1-one
SMILESCN1CCC[C@@H]1Cn1nc(Cc2ccc(Cl)cc2)c2cnccc2c1=O
InChIInChI=1S/C20H21ClN4O/c1-24-10-2-3-16(24)13-25-20(26)17-8-9-22-12-18(17)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
InChIKeyHRSYZRFBUGIVHN-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 4-[(4-chlorophenyl)methyl]-2-[[(2R)-1-methylpyrrolidin-2-yl]methyl]pyrido[3,4-d]pyridazin-1-one?
The IUPAC name of 4-[(4-chlorophenyl)methyl]-2-[[(2R)-1-methylpyrrolidin-2-yl]methyl]pyrido[3,4-d]pyridazin-1-one (CID 71458203) is 4-[(4-chlorophenyl)methyl]-2-[[(2R)-1-methylpyrrolidin-2-yl]methyl]pyrido[3,4-d]pyridazin-1-one.
What is the SMILES notation for 4-[(4-chlorophenyl)methyl]-2-[[(2R)-1-methylpyrrolidin-2-yl]methyl]pyrido[3,4-d]pyridazin-1-one?
The canonical SMILES for 4-[(4-chlorophenyl)methyl]-2-[[(2R)-1-methylpyrrolidin-2-yl]methyl]pyrido[3,4-d]pyridazin-1-one is CN1CCC[C@@H]1Cn1nc(Cc2ccc(Cl)cc2)c2cnccc2c1=O.
What is the InChIKey of 4-[(4-chlorophenyl)methyl]-2-[[(2R)-1-methylpyrrolidin-2-yl]methyl]pyrido[3,4-d]pyridazin-1-one?
The InChIKey is HRSYZRFBUGIVHN-MRXNPFEDSA-N. The full InChI is InChI=1S/C20H21ClN4O/c1-24-10-2-3-16(24)13-25-20(26)17-8-9-22-12-18(17)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 4-[(4-chlorophenyl)methyl]-2-[[(2R)-1-methylpyrrolidin-2-yl]methyl]pyrido[3,4-d]pyridazin-1-one?
4-[(4-chlorophenyl)methyl]-2-[[(2R)-1-methylpyrrolidin-2-yl]methyl]pyrido[3,4-d]pyridazin-1-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 4-[(4-chlorophenyl)methyl]-2-[[(2R)-1-methylpyrrolidin-2-yl]methyl]pyrido[3,4-d]pyridazin-1-one is sourced from PubChem (CID 71458203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).