4-methyl-7-(6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridin-4-yl)-1,3,4,5-tetrahydro-1,5-benzodiazepin-2-one

C18H18N4O2 — CID 121334630

IUPAC4-methyl-7-(6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridin-4-yl)-1,3,4,5-tetrahydro-1,5-benzodiazepin-2-one
SMILESCC1CC(=O)Nc2ccc(-c3cn(C)c(=O)c4[nH]ccc34)cc2N1
InChIInChI=1S/C18H18N4O2/c1-10-7-16(23)21-14-4-3-11(8-15(14)20-10)13-9-22(2)18(24)17-12(13)5-6-19-17/h3-6,8-10,19-20H,7H2,1-2H3,(H,21,23)
InChIKeyNEDMXFRJPRRUOE-UHFFFAOYSA-N
MW322.37 g/mol
LogP2.68
Rot. Bonds1

About 4-methyl-7-(6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridin-4-yl)-1,3,4,5-tetrahydro-1,5-benzodiazepin-2-one

4-methyl-7-(6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridin-4-yl)-1,3,4,5-tetrahydro-1,5-benzodiazepin-2-one (PubChem CID 121334630) has the molecular formula C18H18N4O2 and a molecular weight of 322.37 g/mol. Its IUPAC name is 4-methyl-7-(6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridin-4-yl)-1,3,4,5-tetrahydro-1,5-benzodiazepin-2-one.

Molecular Properties

Compound Name4-methyl-7-(6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridin-4-yl)-1,3,4,5-tetrahydro-1,5-benzodiazepin-2-one
PubChem CID121334630
Molecular FormulaC18H18N4O2
Molecular Weight322.37 g/mol
Exact Mass322.14
IUPAC Name4-methyl-7-(6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridin-4-yl)-1,3,4,5-tetrahydro-1,5-benzodiazepin-2-one
SMILESCC1CC(=O)Nc2ccc(-c3cn(C)c(=O)c4[nH]ccc34)cc2N1
InChIInChI=1S/C18H18N4O2/c1-10-7-16(23)21-14-4-3-11(8-15(14)20-10)13-9-22(2)18(24)17-12(13)5-6-19-17/h3-6,8-10,19-20H,7H2,1-2H3,(H,21,23)
InChIKeyNEDMXFRJPRRUOE-UHFFFAOYSA-N
XLogP2.68
TPSA78.92 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.37
LogP ≤ 52.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-7-(6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridin-4-yl)-1,3,4,5-tetrahydro-1,5-benzodiazepin-2-one?
The IUPAC name of 4-methyl-7-(6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridin-4-yl)-1,3,4,5-tetrahydro-1,5-benzodiazepin-2-one (CID 121334630) is 4-methyl-7-(6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridin-4-yl)-1,3,4,5-tetrahydro-1,5-benzodiazepin-2-one.
What is the SMILES notation for 4-methyl-7-(6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridin-4-yl)-1,3,4,5-tetrahydro-1,5-benzodiazepin-2-one?
The canonical SMILES for 4-methyl-7-(6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridin-4-yl)-1,3,4,5-tetrahydro-1,5-benzodiazepin-2-one is CC1CC(=O)Nc2ccc(-c3cn(C)c(=O)c4[nH]ccc34)cc2N1.
What is the InChIKey of 4-methyl-7-(6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridin-4-yl)-1,3,4,5-tetrahydro-1,5-benzodiazepin-2-one?
The InChIKey is NEDMXFRJPRRUOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O2/c1-10-7-16(23)21-14-4-3-11(8-15(14)20-10)13-9-22(2)18(24)17-12(13)5-6-19-17/h3-6,8-10,19-20H,7H2,1-2H3,(H,21,23).
What are the key properties of 4-methyl-7-(6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridin-4-yl)-1,3,4,5-tetrahydro-1,5-benzodiazepin-2-one?
4-methyl-7-(6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridin-4-yl)-1,3,4,5-tetrahydro-1,5-benzodiazepin-2-one has a molecular weight of 322.37 g/mol, XLogP of 2.68, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-7-(6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridin-4-yl)-1,3,4,5-tetrahydro-1,5-benzodiazepin-2-one is sourced from PubChem (CID 121334630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).