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

C23H22N4O — CID 92845335

IUPAC9-methyl-2-[[(1S)-1-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]methyl]pyrido[1,2-a]pyrimidin-4-one
SMILESCc1cccn2c(=O)cc(CN3CCn4cccc4[C@@H]3c3ccccc3)nc12
InChIInChI=1S/C23H22N4O/c1-17-7-5-12-27-21(28)15-19(24-23(17)27)16-26-14-13-25-11-6-10-20(25)22(26)18-8-3-2-4-9-18/h2-12,15,22H,13-14,16H2,1H3/t22-/m0/s1
InChIKeyFHNJWFMVUXOSMB-QFIPXVFZSA-N
MW370.46 g/mol
LogP3.41
Rot. Bonds3

About 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

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 (PubChem CID 92845335) has the molecular formula C23H22N4O and a molecular weight of 370.46 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name9-methyl-2-[[(1S)-1-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]methyl]pyrido[1,2-a]pyrimidin-4-one
PubChem CID92845335
Molecular FormulaC23H22N4O
Molecular Weight370.46 g/mol
Exact Mass370.18
IUPAC Name9-methyl-2-[[(1S)-1-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]methyl]pyrido[1,2-a]pyrimidin-4-one
SMILESCc1cccn2c(=O)cc(CN3CCn4cccc4[C@@H]3c3ccccc3)nc12
InChIInChI=1S/C23H22N4O/c1-17-7-5-12-27-21(28)15-19(24-23(17)27)16-26-14-13-25-11-6-10-20(25)22(26)18-8-3-2-4-9-18/h2-12,15,22H,13-14,16H2,1H3/t22-/m0/s1
InChIKeyFHNJWFMVUXOSMB-QFIPXVFZSA-N
XLogP3.41
TPSA42.54 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.46
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 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 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
2-[[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]methyl]-9-methylpyrido[1,2-a]pyrimidin-4-one;hydrochloride
CID 120760652
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-[(2-methylpiperazin-1-yl)methyl]pyrido[1,2-a]pyrimidin-4-one;hydrochloride
CID 119916529
2-[[(2R)-2-(4-methoxyphenyl)pyrrolidin-1-yl]methyl]-9-methylpyrido[1,2-a]pyrimidin-4-one
CID 92861391
9-methyl-2-[(2-thiophen-3-ylpyrrolidin-1-yl)methyl]pyrido[1,2-a]pyrimidin-4-one
CID 47055883
2-[(4-imidazol-1-ylpiperidin-1-yl)methyl]-9-methylpyrido[1,2-a]pyrimidin-4-one
CID 75463124
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-[[(2S)-2-thiophen-2-ylpyrrolidin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one
CID 9119024
2-[(3,5-dimethylpiperazin-1-yl)methyl]-9-methylpyrido[1,2-a]pyrimidin-4-one;hydrochloride
CID 119924132
2-[[3-(aminomethyl)pyrrolidin-1-yl]methyl]-9-methylpyrido[1,2-a]pyrimidin-4-one
CID 62062893
2-[[3-ethyl-4-(2-hydroxypropyl)piperazin-1-yl]methyl]-9-methylpyrido[1,2-a]pyrimidin-4-one
CID 71878633

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Cc1cccn2c(=O)cc(CN3CCn4cccc4[C@@H]3c3ccccc3)nc12.
What is the InChIKey of 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?
The InChIKey is FHNJWFMVUXOSMB-QFIPXVFZSA-N. The full InChI is InChI=1S/C23H22N4O/c1-17-7-5-12-27-21(28)15-19(24-23(17)27)16-26-14-13-25-11-6-10-20(25)22(26)18-8-3-2-4-9-18/h2-12,15,22H,13-14,16H2,1H3/t22-/m0/s1.
What are the key properties of 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?
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 has a molecular weight of 370.46 g/mol, XLogP of 3.41, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 92845335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).