6-cyclopentyl-2-methoxy-5-oxo-N-[2-(triazol-1-yl)ethyl]-7H-pyrrolo[3,4-b]pyridine-3-carboxamide

C18H22N6O3 — CID 118783170

IUPAC6-cyclopentyl-2-methoxy-5-oxo-N-[2-(triazol-1-yl)ethyl]-7H-pyrrolo[3,4-b]pyridine-3-carboxamide
SMILESCOc1nc2c(cc1C(=O)NCCn1ccnn1)C(=O)N(C1CCCC1)C2
InChIInChI=1S/C18H22N6O3/c1-27-17-14(16(25)19-6-8-23-9-7-20-22-23)10-13-15(21-17)11-24(18(13)26)12-4-2-3-5-12/h7,9-10,12H,2-6,8,11H2,1H3,(H,19,25)
InChIKeyJQWJSNKJGAKRJS-UHFFFAOYSA-N
MW370.41 g/mol
LogP1.01
Rot. Bonds6

About 6-cyclopentyl-2-methoxy-5-oxo-N-[2-(triazol-1-yl)ethyl]-7H-pyrrolo[3,4-b]pyridine-3-carboxamide

6-cyclopentyl-2-methoxy-5-oxo-N-[2-(triazol-1-yl)ethyl]-7H-pyrrolo[3,4-b]pyridine-3-carboxamide (PubChem CID 118783170) has the molecular formula C18H22N6O3 and a molecular weight of 370.41 g/mol. Its IUPAC name is 6-cyclopentyl-2-methoxy-5-oxo-N-[2-(triazol-1-yl)ethyl]-7H-pyrrolo[3,4-b]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-cyclopentyl-2-methoxy-5-oxo-N-[2-(triazol-1-yl)ethyl]-7H-pyrrolo[3,4-b]pyridine-3-carboxamide
PubChem CID118783170
Molecular FormulaC18H22N6O3
Molecular Weight370.41 g/mol
Exact Mass370.18
IUPAC Name6-cyclopentyl-2-methoxy-5-oxo-N-[2-(triazol-1-yl)ethyl]-7H-pyrrolo[3,4-b]pyridine-3-carboxamide
SMILESCOc1nc2c(cc1C(=O)NCCn1ccnn1)C(=O)N(C1CCCC1)C2
InChIInChI=1S/C18H22N6O3/c1-27-17-14(16(25)19-6-8-23-9-7-20-22-23)10-13-15(21-17)11-24(18(13)26)12-4-2-3-5-12/h7,9-10,12H,2-6,8,11H2,1H3,(H,19,25)
InChIKeyJQWJSNKJGAKRJS-UHFFFAOYSA-N
XLogP1.01
TPSA102.24 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.41
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-cyclopentyl-2-methoxy-5-oxo-N-[2-(triazol-1-yl)ethyl]-7H-pyrrolo[3,4-b]pyridine-3-carboxamide?
The IUPAC name of 6-cyclopentyl-2-methoxy-5-oxo-N-[2-(triazol-1-yl)ethyl]-7H-pyrrolo[3,4-b]pyridine-3-carboxamide (CID 118783170) is 6-cyclopentyl-2-methoxy-5-oxo-N-[2-(triazol-1-yl)ethyl]-7H-pyrrolo[3,4-b]pyridine-3-carboxamide.
What is the SMILES notation for 6-cyclopentyl-2-methoxy-5-oxo-N-[2-(triazol-1-yl)ethyl]-7H-pyrrolo[3,4-b]pyridine-3-carboxamide?
The canonical SMILES for 6-cyclopentyl-2-methoxy-5-oxo-N-[2-(triazol-1-yl)ethyl]-7H-pyrrolo[3,4-b]pyridine-3-carboxamide is COc1nc2c(cc1C(=O)NCCn1ccnn1)C(=O)N(C1CCCC1)C2.
What is the InChIKey of 6-cyclopentyl-2-methoxy-5-oxo-N-[2-(triazol-1-yl)ethyl]-7H-pyrrolo[3,4-b]pyridine-3-carboxamide?
The InChIKey is JQWJSNKJGAKRJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N6O3/c1-27-17-14(16(25)19-6-8-23-9-7-20-22-23)10-13-15(21-17)11-24(18(13)26)12-4-2-3-5-12/h7,9-10,12H,2-6,8,11H2,1H3,(H,19,25).
What are the key properties of 6-cyclopentyl-2-methoxy-5-oxo-N-[2-(triazol-1-yl)ethyl]-7H-pyrrolo[3,4-b]pyridine-3-carboxamide?
6-cyclopentyl-2-methoxy-5-oxo-N-[2-(triazol-1-yl)ethyl]-7H-pyrrolo[3,4-b]pyridine-3-carboxamide has a molecular weight of 370.41 g/mol, XLogP of 1.01, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclopentyl-2-methoxy-5-oxo-N-[2-(triazol-1-yl)ethyl]-7H-pyrrolo[3,4-b]pyridine-3-carboxamide is sourced from PubChem (CID 118783170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).