4-carbamoyl-1-(1-oxo-2,9-diazaspiro[4.5]decan-9-yl)-5H-pyrido[4,3-b]indole-8-carboxylic acid

C21H21N5O4 — CID 122608563

About 4-carbamoyl-1-(1-oxo-2,9-diazaspiro[4.5]decan-9-yl)-5H-pyrido[4,3-b]indole-8-carboxylic acid

4-carbamoyl-1-(1-oxo-2,9-diazaspiro[4.5]decan-9-yl)-5H-pyrido[4,3-b]indole-8-carboxylic acid (PubChem CID 122608563) has the molecular formula C21H21N5O4 and a molecular weight of 407.43 g/mol. Its IUPAC name is 4-carbamoyl-1-(1-oxo-2,9-diazaspiro[4.5]decan-9-yl)-5H-pyrido[4,3-b]indole-8-carboxylic acid.

Molecular Properties

• Compound Name: 4-carbamoyl-1-(1-oxo-2,9-diazaspiro[4.5]decan-9-yl)-5H-pyrido[4,3-b]indole-8-carboxylic acid
• PubChem CID: 122608563
• Molecular Formula: C21H21N5O4
• Molecular Weight: 407.43 g/mol
• Exact Mass: 407.16
• IUPAC Name: 4-carbamoyl-1-(1-oxo-2,9-diazaspiro[4.5]decan-9-yl)-5H-pyrido[4,3-b]indole-8-carboxylic acid
• SMILES: NC(=O)c1cnc(N2CCCC3(CCNC3=O)C2)c2c1[nH]c1ccc(C(=O)O)cc12
• InChI: InChI=1S/C21H21N5O4/c22-17(27)13-9-24-18(26-7-1-4-21(10-26)5-6-23-20(21)30)15-12-8-11(19(28)29)2-3-14(12)25-16(13)15/h2-3,8-9,25H,1,4-7,10H2,(H2,22,27)(H,23,30)(H,28,29)
• InChIKey: IEJLQOLDGFZIAE-UHFFFAOYSA-N
• XLogP: 1.62
• TPSA: 141.41 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 5
• Rotatable Bonds: 3
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	407.43
LogP ≤ 5	1.62
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 4-carbamoyl-1-(1-oxo-2,9-diazaspiro[4.5]decan-9-yl)-5H-pyrido[4,3-b]indole-8-carboxylic acid?

The IUPAC name of 4-carbamoyl-1-(1-oxo-2,9-diazaspiro[4.5]decan-9-yl)-5H-pyrido[4,3-b]indole-8-carboxylic acid (CID 122608563) is 4-carbamoyl-1-(1-oxo-2,9-diazaspiro[4.5]decan-9-yl)-5H-pyrido[4,3-b]indole-8-carboxylic acid.

What is the SMILES notation for 4-carbamoyl-1-(1-oxo-2,9-diazaspiro[4.5]decan-9-yl)-5H-pyrido[4,3-b]indole-8-carboxylic acid?

The canonical SMILES for 4-carbamoyl-1-(1-oxo-2,9-diazaspiro[4.5]decan-9-yl)-5H-pyrido[4,3-b]indole-8-carboxylic acid is NC(=O)c1cnc(N2CCCC3(CCNC3=O)C2)c2c1[nH]c1ccc(C(=O)O)cc12.

What is the InChIKey of 4-carbamoyl-1-(1-oxo-2,9-diazaspiro[4.5]decan-9-yl)-5H-pyrido[4,3-b]indole-8-carboxylic acid?

The InChIKey is IEJLQOLDGFZIAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N5O4/c22-17(27)13-9-24-18(26-7-1-4-21(10-26)5-6-23-20(21)30)15-12-8-11(19(28)29)2-3-14(12)25-16(13)15/h2-3,8-9,25H,1,4-7,10H2,(H2,22,27)(H,23,30)(H,28,29).

What are the key properties of 4-carbamoyl-1-(1-oxo-2,9-diazaspiro[4.5]decan-9-yl)-5H-pyrido[4,3-b]indole-8-carboxylic acid?

4-carbamoyl-1-(1-oxo-2,9-diazaspiro[4.5]decan-9-yl)-5H-pyrido[4,3-b]indole-8-carboxylic acid has a molecular weight of 407.43 g/mol, XLogP of 1.62, 3 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 4-carbamoyl-1-(1-oxo-2,9-diazaspiro[4.5]decan-9-yl)-5H-pyrido[4,3-b]indole-8-carboxylic acid is sourced from PubChem (CID 122608563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).