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

C22H24N6O2 — CID 134809933

IUPAC2-[(1-methylpyrazol-4-yl)methyl]-4-(6-methyl-3-pyridinyl)-6-morpholin-4-yl-3H-pyrrolo[3,4-c]pyridin-1-one
SMILESCc1ccc(-c2nc(N3CCOCC3)cc3c2CN(Cc2cnn(C)c2)C3=O)cn1
InChIInChI=1S/C22H24N6O2/c1-15-3-4-17(11-23-15)21-19-14-28(13-16-10-24-26(2)12-16)22(29)18(19)9-20(25-21)27-5-7-30-8-6-27/h3-4,9-12H,5-8,13-14H2,1-2H3
InChIKeyXDIZJOLMNQYVOS-UHFFFAOYSA-N
MW404.47 g/mol
LogP2.18
Rot. Bonds4

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

2-[(1-methylpyrazol-4-yl)methyl]-4-(6-methyl-3-pyridinyl)-6-morpholin-4-yl-3H-pyrrolo[3,4-c]pyridin-1-one (PubChem CID 134809933) has the molecular formula C22H24N6O2 and a molecular weight of 404.47 g/mol. Its IUPAC name is 2-[(1-methylpyrazol-4-yl)methyl]-4-(6-methyl-3-pyridinyl)-6-morpholin-4-yl-3H-pyrrolo[3,4-c]pyridin-1-one.

Molecular Properties

Compound Name2-[(1-methylpyrazol-4-yl)methyl]-4-(6-methyl-3-pyridinyl)-6-morpholin-4-yl-3H-pyrrolo[3,4-c]pyridin-1-one
PubChem CID134809933
Molecular FormulaC22H24N6O2
Molecular Weight404.47 g/mol
Exact Mass404.20
IUPAC Name2-[(1-methylpyrazol-4-yl)methyl]-4-(6-methyl-3-pyridinyl)-6-morpholin-4-yl-3H-pyrrolo[3,4-c]pyridin-1-one
SMILESCc1ccc(-c2nc(N3CCOCC3)cc3c2CN(Cc2cnn(C)c2)C3=O)cn1
InChIInChI=1S/C22H24N6O2/c1-15-3-4-17(11-23-15)21-19-14-28(13-16-10-24-26(2)12-16)22(29)18(19)9-20(25-21)27-5-7-30-8-6-27/h3-4,9-12H,5-8,13-14H2,1-2H3
InChIKeyXDIZJOLMNQYVOS-UHFFFAOYSA-N
XLogP2.18
TPSA76.38 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.47
LogP ≤ 52.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[(1-methylpyrazol-4-yl)methyl]-4-(6-methyl-3-pyridinyl)-6-morpholin-4-yl-3H-pyrrolo[3,4-c]pyridin-1-one?
The IUPAC name of 2-[(1-methylpyrazol-4-yl)methyl]-4-(6-methyl-3-pyridinyl)-6-morpholin-4-yl-3H-pyrrolo[3,4-c]pyridin-1-one (CID 134809933) is 2-[(1-methylpyrazol-4-yl)methyl]-4-(6-methyl-3-pyridinyl)-6-morpholin-4-yl-3H-pyrrolo[3,4-c]pyridin-1-one.
What is the SMILES notation for 2-[(1-methylpyrazol-4-yl)methyl]-4-(6-methyl-3-pyridinyl)-6-morpholin-4-yl-3H-pyrrolo[3,4-c]pyridin-1-one?
The canonical SMILES for 2-[(1-methylpyrazol-4-yl)methyl]-4-(6-methyl-3-pyridinyl)-6-morpholin-4-yl-3H-pyrrolo[3,4-c]pyridin-1-one is Cc1ccc(-c2nc(N3CCOCC3)cc3c2CN(Cc2cnn(C)c2)C3=O)cn1.
What is the InChIKey of 2-[(1-methylpyrazol-4-yl)methyl]-4-(6-methyl-3-pyridinyl)-6-morpholin-4-yl-3H-pyrrolo[3,4-c]pyridin-1-one?
The InChIKey is XDIZJOLMNQYVOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N6O2/c1-15-3-4-17(11-23-15)21-19-14-28(13-16-10-24-26(2)12-16)22(29)18(19)9-20(25-21)27-5-7-30-8-6-27/h3-4,9-12H,5-8,13-14H2,1-2H3.
What are the key properties of 2-[(1-methylpyrazol-4-yl)methyl]-4-(6-methyl-3-pyridinyl)-6-morpholin-4-yl-3H-pyrrolo[3,4-c]pyridin-1-one?
2-[(1-methylpyrazol-4-yl)methyl]-4-(6-methyl-3-pyridinyl)-6-morpholin-4-yl-3H-pyrrolo[3,4-c]pyridin-1-one has a molecular weight of 404.47 g/mol, XLogP of 2.18, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-methylpyrazol-4-yl)methyl]-4-(6-methyl-3-pyridinyl)-6-morpholin-4-yl-3H-pyrrolo[3,4-c]pyridin-1-one is sourced from PubChem (CID 134809933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).