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

C23H25N5O3 — CID 134810191

IUPAC4-(2-methoxyphenyl)-2-[(1-methylpyrazol-4-yl)methyl]-6-morpholin-4-yl-3H-pyrrolo[3,4-c]pyridin-1-one
SMILESCOc1ccccc1-c1nc(N2CCOCC2)cc2c1CN(Cc1cnn(C)c1)C2=O
InChIInChI=1S/C23H25N5O3/c1-26-13-16(12-24-26)14-28-15-19-18(23(28)29)11-21(27-7-9-31-10-8-27)25-22(19)17-5-3-4-6-20(17)30-2/h3-6,11-13H,7-10,14-15H2,1-2H3
InChIKeyMPFKIGCACRJUFE-UHFFFAOYSA-N
MW419.49 g/mol
LogP2.48
Rot. Bonds5

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

4-(2-methoxyphenyl)-2-[(1-methylpyrazol-4-yl)methyl]-6-morpholin-4-yl-3H-pyrrolo[3,4-c]pyridin-1-one (PubChem CID 134810191) has the molecular formula C23H25N5O3 and a molecular weight of 419.49 g/mol. Its IUPAC name is 4-(2-methoxyphenyl)-2-[(1-methylpyrazol-4-yl)methyl]-6-morpholin-4-yl-3H-pyrrolo[3,4-c]pyridin-1-one.

Molecular Properties

Compound Name4-(2-methoxyphenyl)-2-[(1-methylpyrazol-4-yl)methyl]-6-morpholin-4-yl-3H-pyrrolo[3,4-c]pyridin-1-one
PubChem CID134810191
Molecular FormulaC23H25N5O3
Molecular Weight419.49 g/mol
Exact Mass419.20
IUPAC Name4-(2-methoxyphenyl)-2-[(1-methylpyrazol-4-yl)methyl]-6-morpholin-4-yl-3H-pyrrolo[3,4-c]pyridin-1-one
SMILESCOc1ccccc1-c1nc(N2CCOCC2)cc2c1CN(Cc1cnn(C)c1)C2=O
InChIInChI=1S/C23H25N5O3/c1-26-13-16(12-24-26)14-28-15-19-18(23(28)29)11-21(27-7-9-31-10-8-27)25-22(19)17-5-3-4-6-20(17)30-2/h3-6,11-13H,7-10,14-15H2,1-2H3
InChIKeyMPFKIGCACRJUFE-UHFFFAOYSA-N
XLogP2.48
TPSA72.72 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.49
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-(2-methoxyphenyl)-2-[(1-methylpyrazol-4-yl)methyl]-6-morpholin-4-yl-3H-pyrrolo[3,4-c]pyridin-1-one?
The IUPAC name of 4-(2-methoxyphenyl)-2-[(1-methylpyrazol-4-yl)methyl]-6-morpholin-4-yl-3H-pyrrolo[3,4-c]pyridin-1-one (CID 134810191) is 4-(2-methoxyphenyl)-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-methoxyphenyl)-2-[(1-methylpyrazol-4-yl)methyl]-6-morpholin-4-yl-3H-pyrrolo[3,4-c]pyridin-1-one?
The canonical SMILES for 4-(2-methoxyphenyl)-2-[(1-methylpyrazol-4-yl)methyl]-6-morpholin-4-yl-3H-pyrrolo[3,4-c]pyridin-1-one is COc1ccccc1-c1nc(N2CCOCC2)cc2c1CN(Cc1cnn(C)c1)C2=O.
What is the InChIKey of 4-(2-methoxyphenyl)-2-[(1-methylpyrazol-4-yl)methyl]-6-morpholin-4-yl-3H-pyrrolo[3,4-c]pyridin-1-one?
The InChIKey is MPFKIGCACRJUFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N5O3/c1-26-13-16(12-24-26)14-28-15-19-18(23(28)29)11-21(27-7-9-31-10-8-27)25-22(19)17-5-3-4-6-20(17)30-2/h3-6,11-13H,7-10,14-15H2,1-2H3.
What are the key properties of 4-(2-methoxyphenyl)-2-[(1-methylpyrazol-4-yl)methyl]-6-morpholin-4-yl-3H-pyrrolo[3,4-c]pyridin-1-one?
4-(2-methoxyphenyl)-2-[(1-methylpyrazol-4-yl)methyl]-6-morpholin-4-yl-3H-pyrrolo[3,4-c]pyridin-1-one has a molecular weight of 419.49 g/mol, XLogP of 2.48, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methoxyphenyl)-2-[(1-methylpyrazol-4-yl)methyl]-6-morpholin-4-yl-3H-pyrrolo[3,4-c]pyridin-1-one is sourced from PubChem (CID 134810191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).