5-(2-methoxy-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-2-carboxylic acid

C18H20N4O4 — CID 50970381

IUPAC5-(2-methoxy-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-2-carboxylic acid
SMILESCOc1nc2c(cc1C(=O)N1CCCn3nc(C(=O)O)cc3C1)CCC2
InChIInChI=1S/C18H20N4O4/c1-26-16-13(8-11-4-2-5-14(11)19-16)17(23)21-6-3-7-22-12(10-21)9-15(20-22)18(24)25/h8-9H,2-7,10H2,1H3,(H,24,25)
InChIKeyAQFDUSOFMHQSCH-UHFFFAOYSA-N
MW356.38 g/mol
LogP1.52
Rot. Bonds3

About 5-(2-methoxy-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-2-carboxylic acid

5-(2-methoxy-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-2-carboxylic acid (PubChem CID 50970381) has the molecular formula C18H20N4O4 and a molecular weight of 356.38 g/mol. Its IUPAC name is 5-(2-methoxy-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-2-carboxylic acid.

Molecular Properties

Compound Name5-(2-methoxy-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-2-carboxylic acid
PubChem CID50970381
Molecular FormulaC18H20N4O4
Molecular Weight356.38 g/mol
Exact Mass356.15
IUPAC Name5-(2-methoxy-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-2-carboxylic acid
SMILESCOc1nc2c(cc1C(=O)N1CCCn3nc(C(=O)O)cc3C1)CCC2
InChIInChI=1S/C18H20N4O4/c1-26-16-13(8-11-4-2-5-14(11)19-16)17(23)21-6-3-7-22-12(10-21)9-15(20-22)18(24)25/h8-9H,2-7,10H2,1H3,(H,24,25)
InChIKeyAQFDUSOFMHQSCH-UHFFFAOYSA-N
XLogP1.52
TPSA97.55 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.38
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 5-(2-methoxy-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-2-carboxylic acid with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-(2-methoxy-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-2-carboxylic acid?
The IUPAC name of 5-(2-methoxy-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-2-carboxylic acid (CID 50970381) is 5-(2-methoxy-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-2-carboxylic acid.
What is the SMILES notation for 5-(2-methoxy-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-2-carboxylic acid?
The canonical SMILES for 5-(2-methoxy-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-2-carboxylic acid is COc1nc2c(cc1C(=O)N1CCCn3nc(C(=O)O)cc3C1)CCC2.
What is the InChIKey of 5-(2-methoxy-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-2-carboxylic acid?
The InChIKey is AQFDUSOFMHQSCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O4/c1-26-16-13(8-11-4-2-5-14(11)19-16)17(23)21-6-3-7-22-12(10-21)9-15(20-22)18(24)25/h8-9H,2-7,10H2,1H3,(H,24,25).
What are the key properties of 5-(2-methoxy-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-2-carboxylic acid?
5-(2-methoxy-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-2-carboxylic acid has a molecular weight of 356.38 g/mol, XLogP of 1.52, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-methoxy-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-2-carboxylic acid is sourced from PubChem (CID 50970381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).