4-(2-methylphenyl)-2-[(1-methylpyrazol-4-yl)methyl]-6-morpholin-4-yl-3H-pyrrolo[3,4-c]pyridin-1-one

C23H25N5O2 — CID 134805426

IUPAC4-(2-methylphenyl)-2-[(1-methylpyrazol-4-yl)methyl]-6-morpholin-4-yl-3H-pyrrolo[3,4-c]pyridin-1-one
SMILESCc1ccccc1-c1nc(N2CCOCC2)cc2c1CN(Cc1cnn(C)c1)C2=O
InChIInChI=1S/C23H25N5O2/c1-16-5-3-4-6-18(16)22-20-15-28(14-17-12-24-26(2)13-17)23(29)19(20)11-21(25-22)27-7-9-30-10-8-27/h3-6,11-13H,7-10,14-15H2,1-2H3
InChIKeySFWLVMLQCGYXNY-UHFFFAOYSA-N
MW403.49 g/mol
LogP2.78
Rot. Bonds4

About 4-(2-methylphenyl)-2-[(1-methylpyrazol-4-yl)methyl]-6-morpholin-4-yl-3H-pyrrolo[3,4-c]pyridin-1-one

4-(2-methylphenyl)-2-[(1-methylpyrazol-4-yl)methyl]-6-morpholin-4-yl-3H-pyrrolo[3,4-c]pyridin-1-one (PubChem CID 134805426) has the molecular formula C23H25N5O2 and a molecular weight of 403.49 g/mol. Its IUPAC name is 4-(2-methylphenyl)-2-[(1-methylpyrazol-4-yl)methyl]-6-morpholin-4-yl-3H-pyrrolo[3,4-c]pyridin-1-one.

Molecular Properties

Compound Name4-(2-methylphenyl)-2-[(1-methylpyrazol-4-yl)methyl]-6-morpholin-4-yl-3H-pyrrolo[3,4-c]pyridin-1-one
PubChem CID134805426
Molecular FormulaC23H25N5O2
Molecular Weight403.49 g/mol
Exact Mass403.20
IUPAC Name4-(2-methylphenyl)-2-[(1-methylpyrazol-4-yl)methyl]-6-morpholin-4-yl-3H-pyrrolo[3,4-c]pyridin-1-one
SMILESCc1ccccc1-c1nc(N2CCOCC2)cc2c1CN(Cc1cnn(C)c1)C2=O
InChIInChI=1S/C23H25N5O2/c1-16-5-3-4-6-18(16)22-20-15-28(14-17-12-24-26(2)13-17)23(29)19(20)11-21(25-22)27-7-9-30-10-8-27/h3-6,11-13H,7-10,14-15H2,1-2H3
InChIKeySFWLVMLQCGYXNY-UHFFFAOYSA-N
XLogP2.78
TPSA63.49 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.49
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

4-(2-methoxyphenyl)-2-[(1-methylpyrazol-4-yl)methyl]-6-morpholin-4-yl-3H-pyrrolo[3,4-c]pyridin-1-one
CID 134810191
4-(4-chloro-2-fluorophenyl)-6-[(2S)-2-(1-methylpyrazol-4-yl)morpholin-4-yl]-2-propyl-3H-pyrrolo[3,4-c]pyridin-1-one
CID 174185344
4-[3-(hydroxymethyl)phenyl]-6-morpholin-4-yl-2-phenyl-3H-pyrrolo[3,4-c]pyridin-1-one
CID 134806764
6-benzyl-2,4-dimorpholin-4-yl-5H-pyrrolo[3,4-d]pyrimidin-7-one
CID 57431755
4-[6-[3-(2,5-dimethylphenyl)pyrazol-1-yl]-2-[2-(1-methylpyrazol-4-yl)ethoxy]pyrimidin-4-yl]morpholine
CID 156832007
2-[2-[4-(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)piperazin-1-yl]ethyl]isoindole-1,3-dione
CID 163349554
4-(4,8-dimethylquinolin-2-yl)morpholine
CID 798855
2-[2-(1-methylpyrazol-4-yl)ethyl]-3,4-dihydroisoquinolin-1-one
CID 103857929
1-methyl-3-(2-methyl-6-morpholin-4-yl-3-pyridinyl)-1-[(1-methylpyrazol-4-yl)methyl]urea
CID 146128859
4-methyl-1-(3-methylphenyl)-3-[2-[2-(1-methylpyrazol-4-yl)ethoxy]-6-morpholin-4-ylpyrimidin-4-yl]imidazolidin-2-one
CID 156831844
2,4-dimethyl-6-[4-[(1-methylpyrazol-4-yl)methyl]piperazin-1-yl]pyrimidine
CID 95828152
2-[2-[4-(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)piperazin-1-yl]-2-oxoethyl]isoindole-1,3-dione
CID 122333532

Frequently Asked Questions

What is the IUPAC name of 4-(2-methylphenyl)-2-[(1-methylpyrazol-4-yl)methyl]-6-morpholin-4-yl-3H-pyrrolo[3,4-c]pyridin-1-one?
The IUPAC name of 4-(2-methylphenyl)-2-[(1-methylpyrazol-4-yl)methyl]-6-morpholin-4-yl-3H-pyrrolo[3,4-c]pyridin-1-one (CID 134805426) is 4-(2-methylphenyl)-2-[(1-methylpyrazol-4-yl)methyl]-6-morpholin-4-yl-3H-pyrrolo[3,4-c]pyridin-1-one.
What is the SMILES notation for 4-(2-methylphenyl)-2-[(1-methylpyrazol-4-yl)methyl]-6-morpholin-4-yl-3H-pyrrolo[3,4-c]pyridin-1-one?
The canonical SMILES for 4-(2-methylphenyl)-2-[(1-methylpyrazol-4-yl)methyl]-6-morpholin-4-yl-3H-pyrrolo[3,4-c]pyridin-1-one is Cc1ccccc1-c1nc(N2CCOCC2)cc2c1CN(Cc1cnn(C)c1)C2=O.
What is the InChIKey of 4-(2-methylphenyl)-2-[(1-methylpyrazol-4-yl)methyl]-6-morpholin-4-yl-3H-pyrrolo[3,4-c]pyridin-1-one?
The InChIKey is SFWLVMLQCGYXNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N5O2/c1-16-5-3-4-6-18(16)22-20-15-28(14-17-12-24-26(2)13-17)23(29)19(20)11-21(25-22)27-7-9-30-10-8-27/h3-6,11-13H,7-10,14-15H2,1-2H3.
What are the key properties of 4-(2-methylphenyl)-2-[(1-methylpyrazol-4-yl)methyl]-6-morpholin-4-yl-3H-pyrrolo[3,4-c]pyridin-1-one?
4-(2-methylphenyl)-2-[(1-methylpyrazol-4-yl)methyl]-6-morpholin-4-yl-3H-pyrrolo[3,4-c]pyridin-1-one has a molecular weight of 403.49 g/mol, XLogP of 2.78, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methylphenyl)-2-[(1-methylpyrazol-4-yl)methyl]-6-morpholin-4-yl-3H-pyrrolo[3,4-c]pyridin-1-one is sourced from PubChem (CID 134805426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).