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

C24H28N6O2 — CID 134806436

IUPAC4-[3-(dimethylamino)phenyl]-2-[(1-methylpyrazol-4-yl)methyl]-6-morpholin-4-yl-3H-pyrrolo[3,4-c]pyridin-1-one
SMILESCN(C)c1cccc(-c2nc(N3CCOCC3)cc3c2CN(Cc2cnn(C)c2)C3=O)c1
InChIInChI=1S/C24H28N6O2/c1-27(2)19-6-4-5-18(11-19)23-21-16-30(15-17-13-25-28(3)14-17)24(31)20(21)12-22(26-23)29-7-9-32-10-8-29/h4-6,11-14H,7-10,15-16H2,1-3H3
InChIKeyLDXDTWDJYBIUFA-UHFFFAOYSA-N
MW432.53 g/mol
LogP2.54
Rot. Bonds5

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

4-[3-(dimethylamino)phenyl]-2-[(1-methylpyrazol-4-yl)methyl]-6-morpholin-4-yl-3H-pyrrolo[3,4-c]pyridin-1-one (PubChem CID 134806436) has the molecular formula C24H28N6O2 and a molecular weight of 432.53 g/mol. Its IUPAC name is 4-[3-(dimethylamino)phenyl]-2-[(1-methylpyrazol-4-yl)methyl]-6-morpholin-4-yl-3H-pyrrolo[3,4-c]pyridin-1-one.

Molecular Properties

Compound Name4-[3-(dimethylamino)phenyl]-2-[(1-methylpyrazol-4-yl)methyl]-6-morpholin-4-yl-3H-pyrrolo[3,4-c]pyridin-1-one
PubChem CID134806436
Molecular FormulaC24H28N6O2
Molecular Weight432.53 g/mol
Exact Mass432.23
IUPAC Name4-[3-(dimethylamino)phenyl]-2-[(1-methylpyrazol-4-yl)methyl]-6-morpholin-4-yl-3H-pyrrolo[3,4-c]pyridin-1-one
SMILESCN(C)c1cccc(-c2nc(N3CCOCC3)cc3c2CN(Cc2cnn(C)c2)C3=O)c1
InChIInChI=1S/C24H28N6O2/c1-27(2)19-6-4-5-18(11-19)23-21-16-30(15-17-13-25-28(3)14-17)24(31)20(21)12-22(26-23)29-7-9-32-10-8-29/h4-6,11-14H,7-10,15-16H2,1-3H3
InChIKeyLDXDTWDJYBIUFA-UHFFFAOYSA-N
XLogP2.54
TPSA66.73 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.53
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[3-(dimethylamino)phenyl]-2-[(1-methylpyrazol-4-yl)methyl]-6-morpholin-4-yl-3H-pyrrolo[3,4-c]pyridin-1-one?
The IUPAC name of 4-[3-(dimethylamino)phenyl]-2-[(1-methylpyrazol-4-yl)methyl]-6-morpholin-4-yl-3H-pyrrolo[3,4-c]pyridin-1-one (CID 134806436) is 4-[3-(dimethylamino)phenyl]-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-[3-(dimethylamino)phenyl]-2-[(1-methylpyrazol-4-yl)methyl]-6-morpholin-4-yl-3H-pyrrolo[3,4-c]pyridin-1-one?
The canonical SMILES for 4-[3-(dimethylamino)phenyl]-2-[(1-methylpyrazol-4-yl)methyl]-6-morpholin-4-yl-3H-pyrrolo[3,4-c]pyridin-1-one is CN(C)c1cccc(-c2nc(N3CCOCC3)cc3c2CN(Cc2cnn(C)c2)C3=O)c1.
What is the InChIKey of 4-[3-(dimethylamino)phenyl]-2-[(1-methylpyrazol-4-yl)methyl]-6-morpholin-4-yl-3H-pyrrolo[3,4-c]pyridin-1-one?
The InChIKey is LDXDTWDJYBIUFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N6O2/c1-27(2)19-6-4-5-18(11-19)23-21-16-30(15-17-13-25-28(3)14-17)24(31)20(21)12-22(26-23)29-7-9-32-10-8-29/h4-6,11-14H,7-10,15-16H2,1-3H3.
What are the key properties of 4-[3-(dimethylamino)phenyl]-2-[(1-methylpyrazol-4-yl)methyl]-6-morpholin-4-yl-3H-pyrrolo[3,4-c]pyridin-1-one?
4-[3-(dimethylamino)phenyl]-2-[(1-methylpyrazol-4-yl)methyl]-6-morpholin-4-yl-3H-pyrrolo[3,4-c]pyridin-1-one has a molecular weight of 432.53 g/mol, XLogP of 2.54, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(dimethylamino)phenyl]-2-[(1-methylpyrazol-4-yl)methyl]-6-morpholin-4-yl-3H-pyrrolo[3,4-c]pyridin-1-one is sourced from PubChem (CID 134806436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).