2-[[(2R)-2-(4-methoxyphenyl)pyrrolidin-1-yl]methyl]-9-methylpyrido[1,2-a]pyrimidin-4-one

C21H23N3O2 — CID 92861391

IUPAC2-[[(2R)-2-(4-methoxyphenyl)pyrrolidin-1-yl]methyl]-9-methylpyrido[1,2-a]pyrimidin-4-one
SMILESCOc1ccc([C@H]2CCCN2Cc2cc(=O)n3cccc(C)c3n2)cc1
InChIInChI=1S/C21H23N3O2/c1-15-5-3-12-24-20(25)13-17(22-21(15)24)14-23-11-4-6-19(23)16-7-9-18(26-2)10-8-16/h3,5,7-10,12-13,19H,4,6,11,14H2,1-2H3/t19-/m1/s1
InChIKeyQSTQINWZVYJNIE-LJQANCHMSA-N
MW349.43 g/mol
LogP3.35
Rot. Bonds4

About 2-[[(2R)-2-(4-methoxyphenyl)pyrrolidin-1-yl]methyl]-9-methylpyrido[1,2-a]pyrimidin-4-one

2-[[(2R)-2-(4-methoxyphenyl)pyrrolidin-1-yl]methyl]-9-methylpyrido[1,2-a]pyrimidin-4-one (PubChem CID 92861391) has the molecular formula C21H23N3O2 and a molecular weight of 349.43 g/mol. Its IUPAC name is 2-[[(2R)-2-(4-methoxyphenyl)pyrrolidin-1-yl]methyl]-9-methylpyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name2-[[(2R)-2-(4-methoxyphenyl)pyrrolidin-1-yl]methyl]-9-methylpyrido[1,2-a]pyrimidin-4-one
PubChem CID92861391
Molecular FormulaC21H23N3O2
Molecular Weight349.43 g/mol
Exact Mass349.18
IUPAC Name2-[[(2R)-2-(4-methoxyphenyl)pyrrolidin-1-yl]methyl]-9-methylpyrido[1,2-a]pyrimidin-4-one
SMILESCOc1ccc([C@H]2CCCN2Cc2cc(=O)n3cccc(C)c3n2)cc1
InChIInChI=1S/C21H23N3O2/c1-15-5-3-12-24-20(25)13-17(22-21(15)24)14-23-11-4-6-19(23)16-7-9-18(26-2)10-8-16/h3,5,7-10,12-13,19H,4,6,11,14H2,1-2H3/t19-/m1/s1
InChIKeyQSTQINWZVYJNIE-LJQANCHMSA-N
XLogP3.35
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.43
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-[[(2R)-2-(4-methoxyphenyl)pyrrolidin-1-yl]methyl]-9-methylpyrido[1,2-a]pyrimidin-4-one with MolForge

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Related Compounds

9-methyl-2-[[(2R)-2-(4-methylphenyl)pyrrolidin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one
CID 95283627
9-methyl-2-[(2-thiophen-3-ylpyrrolidin-1-yl)methyl]pyrido[1,2-a]pyrimidin-4-one
CID 47055883
9-methyl-2-[[(2R)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one
CID 95570789
9-methyl-2-[[(2S)-2-thiophen-2-ylpyrrolidin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one
CID 9119024
7-chloro-2-[[2-(4-methoxyphenyl)pyrrolidin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one
CID 46614668
7-[[2-(4-ethoxyphenyl)pyrrolidin-1-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 17448130
9-methyl-2-[[(2S)-2-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one
CID 95609825
9-methyl-2-[[(3R)-3-(trifluoromethyl)piperidin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one
CID 92861380
9-methyl-2-[[(1S)-1-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]methyl]pyrido[1,2-a]pyrimidin-4-one
CID 92845335
9-methyl-2-[(2-methylpiperazin-1-yl)methyl]pyrido[1,2-a]pyrimidin-4-one;hydrochloride
CID 119916529
2-(4-methoxyphenyl)-1-[(4-methoxyphenyl)methyl]pyrrolidine
CID 20895862
2-[[3-(1-aminoethyl)piperidin-1-yl]methyl]-9-methylpyrido[1,2-a]pyrimidin-4-one
CID 119925708

Frequently Asked Questions

What is the IUPAC name of 2-[[(2R)-2-(4-methoxyphenyl)pyrrolidin-1-yl]methyl]-9-methylpyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 2-[[(2R)-2-(4-methoxyphenyl)pyrrolidin-1-yl]methyl]-9-methylpyrido[1,2-a]pyrimidin-4-one (CID 92861391) is 2-[[(2R)-2-(4-methoxyphenyl)pyrrolidin-1-yl]methyl]-9-methylpyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 2-[[(2R)-2-(4-methoxyphenyl)pyrrolidin-1-yl]methyl]-9-methylpyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 2-[[(2R)-2-(4-methoxyphenyl)pyrrolidin-1-yl]methyl]-9-methylpyrido[1,2-a]pyrimidin-4-one is COc1ccc([C@H]2CCCN2Cc2cc(=O)n3cccc(C)c3n2)cc1.
What is the InChIKey of 2-[[(2R)-2-(4-methoxyphenyl)pyrrolidin-1-yl]methyl]-9-methylpyrido[1,2-a]pyrimidin-4-one?
The InChIKey is QSTQINWZVYJNIE-LJQANCHMSA-N. The full InChI is InChI=1S/C21H23N3O2/c1-15-5-3-12-24-20(25)13-17(22-21(15)24)14-23-11-4-6-19(23)16-7-9-18(26-2)10-8-16/h3,5,7-10,12-13,19H,4,6,11,14H2,1-2H3/t19-/m1/s1.
What are the key properties of 2-[[(2R)-2-(4-methoxyphenyl)pyrrolidin-1-yl]methyl]-9-methylpyrido[1,2-a]pyrimidin-4-one?
2-[[(2R)-2-(4-methoxyphenyl)pyrrolidin-1-yl]methyl]-9-methylpyrido[1,2-a]pyrimidin-4-one has a molecular weight of 349.43 g/mol, XLogP of 3.35, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(2R)-2-(4-methoxyphenyl)pyrrolidin-1-yl]methyl]-9-methylpyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 92861391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).