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

C19H25N3O3 — CID 56863871

IUPACN-[(6-cyclopentyl-2-methoxy-5-oxo-7H-pyrrolo[3,4-b]pyridin-3-yl)methyl]-2-cyclopropylacetamide
SMILESCOc1nc2c(cc1CNC(=O)CC1CC1)C(=O)N(C1CCCC1)C2
InChIInChI=1S/C19H25N3O3/c1-25-18-13(10-20-17(23)8-12-6-7-12)9-15-16(21-18)11-22(19(15)24)14-4-2-3-5-14/h9,12,14H,2-8,10-11H2,1H3,(H,20,23)
InChIKeyFODFVNLJDVSHID-UHFFFAOYSA-N
MW343.43 g/mol
LogP2.40
Rot. Bonds6

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

N-[(6-cyclopentyl-2-methoxy-5-oxo-7H-pyrrolo[3,4-b]pyridin-3-yl)methyl]-2-cyclopropylacetamide (PubChem CID 56863871) has the molecular formula C19H25N3O3 and a molecular weight of 343.43 g/mol. Its IUPAC name is N-[(6-cyclopentyl-2-methoxy-5-oxo-7H-pyrrolo[3,4-b]pyridin-3-yl)methyl]-2-cyclopropylacetamide.

Molecular Properties

Compound NameN-[(6-cyclopentyl-2-methoxy-5-oxo-7H-pyrrolo[3,4-b]pyridin-3-yl)methyl]-2-cyclopropylacetamide
PubChem CID56863871
Molecular FormulaC19H25N3O3
Molecular Weight343.43 g/mol
Exact Mass343.19
IUPAC NameN-[(6-cyclopentyl-2-methoxy-5-oxo-7H-pyrrolo[3,4-b]pyridin-3-yl)methyl]-2-cyclopropylacetamide
SMILESCOc1nc2c(cc1CNC(=O)CC1CC1)C(=O)N(C1CCCC1)C2
InChIInChI=1S/C19H25N3O3/c1-25-18-13(10-20-17(23)8-12-6-7-12)9-15-16(21-18)11-22(19(15)24)14-4-2-3-5-14/h9,12,14H,2-8,10-11H2,1H3,(H,20,23)
InChIKeyFODFVNLJDVSHID-UHFFFAOYSA-N
XLogP2.40
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.43
LogP ≤ 52.40
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-cyclopropylacetamide?
The IUPAC name of N-[(6-cyclopentyl-2-methoxy-5-oxo-7H-pyrrolo[3,4-b]pyridin-3-yl)methyl]-2-cyclopropylacetamide (CID 56863871) is N-[(6-cyclopentyl-2-methoxy-5-oxo-7H-pyrrolo[3,4-b]pyridin-3-yl)methyl]-2-cyclopropylacetamide.
What is the SMILES notation for N-[(6-cyclopentyl-2-methoxy-5-oxo-7H-pyrrolo[3,4-b]pyridin-3-yl)methyl]-2-cyclopropylacetamide?
The canonical SMILES for N-[(6-cyclopentyl-2-methoxy-5-oxo-7H-pyrrolo[3,4-b]pyridin-3-yl)methyl]-2-cyclopropylacetamide is COc1nc2c(cc1CNC(=O)CC1CC1)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-cyclopropylacetamide?
The InChIKey is FODFVNLJDVSHID-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O3/c1-25-18-13(10-20-17(23)8-12-6-7-12)9-15-16(21-18)11-22(19(15)24)14-4-2-3-5-14/h9,12,14H,2-8,10-11H2,1H3,(H,20,23).
What are the key properties of N-[(6-cyclopentyl-2-methoxy-5-oxo-7H-pyrrolo[3,4-b]pyridin-3-yl)methyl]-2-cyclopropylacetamide?
N-[(6-cyclopentyl-2-methoxy-5-oxo-7H-pyrrolo[3,4-b]pyridin-3-yl)methyl]-2-cyclopropylacetamide has a molecular weight of 343.43 g/mol, XLogP of 2.40, 6 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-cyclopropylacetamide is sourced from PubChem (CID 56863871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).