6-[(2-methoxyphenyl)methyl]-2-(4-methylpiperazin-1-yl)pyrido[4,3-d]pyrimidin-5-one

C20H23N5O2 — CID 17190770

IUPAC6-[(2-methoxyphenyl)methyl]-2-(4-methylpiperazin-1-yl)pyrido[4,3-d]pyrimidin-5-one
SMILESCOc1ccccc1Cn1ccc2nc(N3CCN(C)CC3)ncc2c1=O
InChIInChI=1S/C20H23N5O2/c1-23-9-11-24(12-10-23)20-21-13-16-17(22-20)7-8-25(19(16)26)14-15-5-3-4-6-18(15)27-2/h3-8,13H,9-12,14H2,1-2H3
InChIKeyYTSUGMLGJDKHKD-UHFFFAOYSA-N
MW365.44 g/mol
LogP1.60
Rot. Bonds4

About 6-[(2-methoxyphenyl)methyl]-2-(4-methylpiperazin-1-yl)pyrido[4,3-d]pyrimidin-5-one

6-[(2-methoxyphenyl)methyl]-2-(4-methylpiperazin-1-yl)pyrido[4,3-d]pyrimidin-5-one (PubChem CID 17190770) has the molecular formula C20H23N5O2 and a molecular weight of 365.44 g/mol. Its IUPAC name is 6-[(2-methoxyphenyl)methyl]-2-(4-methylpiperazin-1-yl)pyrido[4,3-d]pyrimidin-5-one.

Molecular Properties

Compound Name6-[(2-methoxyphenyl)methyl]-2-(4-methylpiperazin-1-yl)pyrido[4,3-d]pyrimidin-5-one
PubChem CID17190770
Molecular FormulaC20H23N5O2
Molecular Weight365.44 g/mol
Exact Mass365.19
IUPAC Name6-[(2-methoxyphenyl)methyl]-2-(4-methylpiperazin-1-yl)pyrido[4,3-d]pyrimidin-5-one
SMILESCOc1ccccc1Cn1ccc2nc(N3CCN(C)CC3)ncc2c1=O
InChIInChI=1S/C20H23N5O2/c1-23-9-11-24(12-10-23)20-21-13-16-17(22-20)7-8-25(19(16)26)14-15-5-3-4-6-18(15)27-2/h3-8,13H,9-12,14H2,1-2H3
InChIKeyYTSUGMLGJDKHKD-UHFFFAOYSA-N
XLogP1.60
TPSA63.49 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.44
LogP ≤ 51.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

6-(3-methoxypropyl)-2-(4-phenylpiperazin-1-yl)pyrido[4,3-d]pyrimidin-5-one
CID 44616049
2-(4-ethylpiperazin-1-yl)-6-(2-phenylethyl)pyrido[4,3-d]pyrimidin-5-one
CID 44616046
2-[4-(4-amino-6,7-dimethoxyquinazolin-2-yl)piperazin-1-yl]-6-methylpyrido[4,3-d]pyrimidin-5-one;hydrochloride
CID 3064548
N-[2-(2-methoxyphenyl)ethyl]-4-methyl-2-(4-methylpiperazin-1-yl)pyrimidine-5-carboxamide
CID 66505284
6-[(2-methoxyphenyl)methyl]-2-(4-pyrimidin-2-ylpiperazin-1-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 20960920
1-[(2-methoxyphenyl)methyl]-2-oxopyridine-3-carboxylic acid
CID 22309095
2-(4-ethylpiperazin-1-yl)-6-[(2-methoxyphenyl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 20960721
3-[(2-methoxyphenyl)methyl]thieno[3,2-d]pyrimidin-4-one
CID 33278584
5-deuterio-3-[(2-methoxyphenyl)methyl]quinazolin-4-one
CID 175898338
3-[(2-methoxyphenyl)methyl]pyrido[2,3-d]pyrimidin-4-one
CID 10825717
N-[(2-methoxyphenyl)methyl]-1-methyl-6-(4-methylpiperazin-1-yl)pyrazolo[3,4-d]pyrimidin-4-amine;hydrochloride
CID 146059648
8-methyl-2-(4-methylpiperazin-1-yl)-6-phenylpteridin-7-one
CID 3234627

Frequently Asked Questions

What is the IUPAC name of 6-[(2-methoxyphenyl)methyl]-2-(4-methylpiperazin-1-yl)pyrido[4,3-d]pyrimidin-5-one?
The IUPAC name of 6-[(2-methoxyphenyl)methyl]-2-(4-methylpiperazin-1-yl)pyrido[4,3-d]pyrimidin-5-one (CID 17190770) is 6-[(2-methoxyphenyl)methyl]-2-(4-methylpiperazin-1-yl)pyrido[4,3-d]pyrimidin-5-one.
What is the SMILES notation for 6-[(2-methoxyphenyl)methyl]-2-(4-methylpiperazin-1-yl)pyrido[4,3-d]pyrimidin-5-one?
The canonical SMILES for 6-[(2-methoxyphenyl)methyl]-2-(4-methylpiperazin-1-yl)pyrido[4,3-d]pyrimidin-5-one is COc1ccccc1Cn1ccc2nc(N3CCN(C)CC3)ncc2c1=O.
What is the InChIKey of 6-[(2-methoxyphenyl)methyl]-2-(4-methylpiperazin-1-yl)pyrido[4,3-d]pyrimidin-5-one?
The InChIKey is YTSUGMLGJDKHKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5O2/c1-23-9-11-24(12-10-23)20-21-13-16-17(22-20)7-8-25(19(16)26)14-15-5-3-4-6-18(15)27-2/h3-8,13H,9-12,14H2,1-2H3.
What are the key properties of 6-[(2-methoxyphenyl)methyl]-2-(4-methylpiperazin-1-yl)pyrido[4,3-d]pyrimidin-5-one?
6-[(2-methoxyphenyl)methyl]-2-(4-methylpiperazin-1-yl)pyrido[4,3-d]pyrimidin-5-one has a molecular weight of 365.44 g/mol, XLogP of 1.60, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2-methoxyphenyl)methyl]-2-(4-methylpiperazin-1-yl)pyrido[4,3-d]pyrimidin-5-one is sourced from PubChem (CID 17190770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).