2-[[7-[(7-cyclopropyl-1-methylidene-2,5,6,7-tetrahydrocyclopenta[c]pyridin-4-yl)oxy]-6-methyl-2,3-dihydro-1H-inden-4-yl]amino]-2-oxoacetic acid

C24H26N2O4 — CID 163293482

About 2-[[7-[(7-cyclopropyl-1-methylidene-2,5,6,7-tetrahydrocyclopenta[c]pyridin-4-yl)oxy]-6-methyl-2,3-dihydro-1H-inden-4-yl]amino]-2-oxoacetic acid

2-[[7-[(7-cyclopropyl-1-methylidene-2,5,6,7-tetrahydrocyclopenta[c]pyridin-4-yl)oxy]-6-methyl-2,3-dihydro-1H-inden-4-yl]amino]-2-oxoacetic acid (PubChem CID 163293482) has the molecular formula C24H26N2O4 and a molecular weight of 406.48 g/mol. Its IUPAC name is 2-[[7-[(7-cyclopropyl-1-methylidene-2,5,6,7-tetrahydrocyclopenta[c]pyridin-4-yl)oxy]-6-methyl-2,3-dihydro-1H-inden-4-yl]amino]-2-oxoacetic acid.

Molecular Properties

• Compound Name: 2-[[7-[(7-cyclopropyl-1-methylidene-2,5,6,7-tetrahydrocyclopenta[c]pyridin-4-yl)oxy]-6-methyl-2,3-dihydro-1H-inden-4-yl]amino]-2-oxoacetic acid
• PubChem CID: 163293482
• Molecular Formula: C24H26N2O4
• Molecular Weight: 406.48 g/mol
• Exact Mass: 406.19
• IUPAC Name: 2-[[7-[(7-cyclopropyl-1-methylidene-2,5,6,7-tetrahydrocyclopenta[c]pyridin-4-yl)oxy]-6-methyl-2,3-dihydro-1H-inden-4-yl]amino]-2-oxoacetic acid
• SMILES: C=C1NC=C(Oc2c(C)cc(NC(=O)C(=O)O)c3c2CCC3)C2=C1C(C1CC1)CC2
• InChI: InChI=1S/C24H26N2O4/c1-12-10-19(26-23(27)24(28)29)16-4-3-5-17(16)22(12)30-20-11-25-13(2)21-15(14-6-7-14)8-9-18(20)21/h10-11,14-15,25H,2-9H2,1H3,(H,26,27)(H,28,29)
• InChIKey: QCWKQTCAWQUDSP-UHFFFAOYSA-N
• XLogP: 3.96
• TPSA: 87.66 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	406.48
LogP ≤ 5	3.96
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'diketo_group', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-[[7-[(7-cyclopropyl-1-methylidene-2,5,6,7-tetrahydrocyclopenta[c]pyridin-4-yl)oxy]-6-methyl-2,3-dihydro-1H-inden-4-yl]amino]-2-oxoacetic acid?

The IUPAC name of 2-[[7-[(7-cyclopropyl-1-methylidene-2,5,6,7-tetrahydrocyclopenta[c]pyridin-4-yl)oxy]-6-methyl-2,3-dihydro-1H-inden-4-yl]amino]-2-oxoacetic acid (CID 163293482) is 2-[[7-[(7-cyclopropyl-1-methylidene-2,5,6,7-tetrahydrocyclopenta[c]pyridin-4-yl)oxy]-6-methyl-2,3-dihydro-1H-inden-4-yl]amino]-2-oxoacetic acid.

What is the SMILES notation for 2-[[7-[(7-cyclopropyl-1-methylidene-2,5,6,7-tetrahydrocyclopenta[c]pyridin-4-yl)oxy]-6-methyl-2,3-dihydro-1H-inden-4-yl]amino]-2-oxoacetic acid?

The canonical SMILES for 2-[[7-[(7-cyclopropyl-1-methylidene-2,5,6,7-tetrahydrocyclopenta[c]pyridin-4-yl)oxy]-6-methyl-2,3-dihydro-1H-inden-4-yl]amino]-2-oxoacetic acid is C=C1NC=C(Oc2c(C)cc(NC(=O)C(=O)O)c3c2CCC3)C2=C1C(C1CC1)CC2.

What is the InChIKey of 2-[[7-[(7-cyclopropyl-1-methylidene-2,5,6,7-tetrahydrocyclopenta[c]pyridin-4-yl)oxy]-6-methyl-2,3-dihydro-1H-inden-4-yl]amino]-2-oxoacetic acid?

The InChIKey is QCWKQTCAWQUDSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N2O4/c1-12-10-19(26-23(27)24(28)29)16-4-3-5-17(16)22(12)30-20-11-25-13(2)21-15(14-6-7-14)8-9-18(20)21/h10-11,14-15,25H,2-9H2,1H3,(H,26,27)(H,28,29).

What are the key properties of 2-[[7-[(7-cyclopropyl-1-methylidene-2,5,6,7-tetrahydrocyclopenta[c]pyridin-4-yl)oxy]-6-methyl-2,3-dihydro-1H-inden-4-yl]amino]-2-oxoacetic acid?

2-[[7-[(7-cyclopropyl-1-methylidene-2,5,6,7-tetrahydrocyclopenta[c]pyridin-4-yl)oxy]-6-methyl-2,3-dihydro-1H-inden-4-yl]amino]-2-oxoacetic acid has a molecular weight of 406.48 g/mol, XLogP of 3.96, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[[7-[(7-cyclopropyl-1-methylidene-2,5,6,7-tetrahydrocyclopenta[c]pyridin-4-yl)oxy]-6-methyl-2,3-dihydro-1H-inden-4-yl]amino]-2-oxoacetic acid is sourced from PubChem (CID 163293482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).