N-[(6-cyclopentyl-2-methoxy-5-oxo-7H-pyrrolo[3,4-b]pyridin-3-yl)methyl]-2,6-dimethylbenzamide

C23H27N3O3 — CID 56876561

IUPACN-[(6-cyclopentyl-2-methoxy-5-oxo-7H-pyrrolo[3,4-b]pyridin-3-yl)methyl]-2,6-dimethylbenzamide
SMILESCOc1nc2c(cc1CNC(=O)c1c(C)cccc1C)C(=O)N(C1CCCC1)C2
InChIInChI=1S/C23H27N3O3/c1-14-7-6-8-15(2)20(14)21(27)24-12-16-11-18-19(25-22(16)29-3)13-26(23(18)28)17-9-4-5-10-17/h6-8,11,17H,4-5,9-10,12-13H2,1-3H3,(H,24,27)
InChIKeyKSLIISWKIXKTFZ-UHFFFAOYSA-N
MW393.49 g/mol
LogP3.54
Rot. Bonds5

About N-[(6-cyclopentyl-2-methoxy-5-oxo-7H-pyrrolo[3,4-b]pyridin-3-yl)methyl]-2,6-dimethylbenzamide

N-[(6-cyclopentyl-2-methoxy-5-oxo-7H-pyrrolo[3,4-b]pyridin-3-yl)methyl]-2,6-dimethylbenzamide (PubChem CID 56876561) has the molecular formula C23H27N3O3 and a molecular weight of 393.49 g/mol. Its IUPAC name is N-[(6-cyclopentyl-2-methoxy-5-oxo-7H-pyrrolo[3,4-b]pyridin-3-yl)methyl]-2,6-dimethylbenzamide.

Molecular Properties

Compound NameN-[(6-cyclopentyl-2-methoxy-5-oxo-7H-pyrrolo[3,4-b]pyridin-3-yl)methyl]-2,6-dimethylbenzamide
PubChem CID56876561
Molecular FormulaC23H27N3O3
Molecular Weight393.49 g/mol
Exact Mass393.21
IUPAC NameN-[(6-cyclopentyl-2-methoxy-5-oxo-7H-pyrrolo[3,4-b]pyridin-3-yl)methyl]-2,6-dimethylbenzamide
SMILESCOc1nc2c(cc1CNC(=O)c1c(C)cccc1C)C(=O)N(C1CCCC1)C2
InChIInChI=1S/C23H27N3O3/c1-14-7-6-8-15(2)20(14)21(27)24-12-16-11-18-19(25-22(16)29-3)13-26(23(18)28)17-9-4-5-10-17/h6-8,11,17H,4-5,9-10,12-13H2,1-3H3,(H,24,27)
InChIKeyKSLIISWKIXKTFZ-UHFFFAOYSA-N
XLogP3.54
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.49
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(6-cyclopentyl-2-methoxy-5-oxo-7H-pyrrolo[3,4-b]pyridin-3-yl)methyl]-2,6-dimethylbenzamide?
The IUPAC name of N-[(6-cyclopentyl-2-methoxy-5-oxo-7H-pyrrolo[3,4-b]pyridin-3-yl)methyl]-2,6-dimethylbenzamide (CID 56876561) is N-[(6-cyclopentyl-2-methoxy-5-oxo-7H-pyrrolo[3,4-b]pyridin-3-yl)methyl]-2,6-dimethylbenzamide.
What is the SMILES notation for N-[(6-cyclopentyl-2-methoxy-5-oxo-7H-pyrrolo[3,4-b]pyridin-3-yl)methyl]-2,6-dimethylbenzamide?
The canonical SMILES for N-[(6-cyclopentyl-2-methoxy-5-oxo-7H-pyrrolo[3,4-b]pyridin-3-yl)methyl]-2,6-dimethylbenzamide is COc1nc2c(cc1CNC(=O)c1c(C)cccc1C)C(=O)N(C1CCCC1)C2.
What is the InChIKey of N-[(6-cyclopentyl-2-methoxy-5-oxo-7H-pyrrolo[3,4-b]pyridin-3-yl)methyl]-2,6-dimethylbenzamide?
The InChIKey is KSLIISWKIXKTFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O3/c1-14-7-6-8-15(2)20(14)21(27)24-12-16-11-18-19(25-22(16)29-3)13-26(23(18)28)17-9-4-5-10-17/h6-8,11,17H,4-5,9-10,12-13H2,1-3H3,(H,24,27).
What are the key properties of N-[(6-cyclopentyl-2-methoxy-5-oxo-7H-pyrrolo[3,4-b]pyridin-3-yl)methyl]-2,6-dimethylbenzamide?
N-[(6-cyclopentyl-2-methoxy-5-oxo-7H-pyrrolo[3,4-b]pyridin-3-yl)methyl]-2,6-dimethylbenzamide has a molecular weight of 393.49 g/mol, XLogP of 3.54, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-cyclopentyl-2-methoxy-5-oxo-7H-pyrrolo[3,4-b]pyridin-3-yl)methyl]-2,6-dimethylbenzamide is sourced from PubChem (CID 56876561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).