4-(methylcarbamoyl)-1-(1-oxo-2,9-diazaspiro[4.5]decan-9-yl)-5H-pyrido[4,3-b]indole-7-carboxylic acid

C22H23N5O4 — CID 134520748

IUPAC4-(methylcarbamoyl)-1-(1-oxo-2,9-diazaspiro[4.5]decan-9-yl)-5H-pyrido[4,3-b]indole-7-carboxylic acid
SMILESCNC(=O)c1cnc(N2CCCC3(CCNC3=O)C2)c2c1[nH]c1cc(C(=O)O)ccc12
InChIInChI=1S/C22H23N5O4/c1-23-19(28)14-10-25-18(27-8-2-5-22(11-27)6-7-24-21(22)31)16-13-4-3-12(20(29)30)9-15(13)26-17(14)16/h3-4,9-10,26H,2,5-8,11H2,1H3,(H,23,28)(H,24,31)(H,29,30)
InChIKeyINCXUEXGODZOPD-UHFFFAOYSA-N
MW421.46 g/mol
LogP1.88
Rot. Bonds3

About 4-(methylcarbamoyl)-1-(1-oxo-2,9-diazaspiro[4.5]decan-9-yl)-5H-pyrido[4,3-b]indole-7-carboxylic acid

4-(methylcarbamoyl)-1-(1-oxo-2,9-diazaspiro[4.5]decan-9-yl)-5H-pyrido[4,3-b]indole-7-carboxylic acid (PubChem CID 134520748) has the molecular formula C22H23N5O4 and a molecular weight of 421.46 g/mol. Its IUPAC name is 4-(methylcarbamoyl)-1-(1-oxo-2,9-diazaspiro[4.5]decan-9-yl)-5H-pyrido[4,3-b]indole-7-carboxylic acid.

Molecular Properties

Compound Name4-(methylcarbamoyl)-1-(1-oxo-2,9-diazaspiro[4.5]decan-9-yl)-5H-pyrido[4,3-b]indole-7-carboxylic acid
PubChem CID134520748
Molecular FormulaC22H23N5O4
Molecular Weight421.46 g/mol
Exact Mass421.18
IUPAC Name4-(methylcarbamoyl)-1-(1-oxo-2,9-diazaspiro[4.5]decan-9-yl)-5H-pyrido[4,3-b]indole-7-carboxylic acid
SMILESCNC(=O)c1cnc(N2CCCC3(CCNC3=O)C2)c2c1[nH]c1cc(C(=O)O)ccc12
InChIInChI=1S/C22H23N5O4/c1-23-19(28)14-10-25-18(27-8-2-5-22(11-27)6-7-24-21(22)31)16-13-4-3-12(20(29)30)9-15(13)26-17(14)16/h3-4,9-10,26H,2,5-8,11H2,1H3,(H,23,28)(H,24,31)(H,29,30)
InChIKeyINCXUEXGODZOPD-UHFFFAOYSA-N
XLogP1.88
TPSA127.42 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.46
LogP ≤ 51.88
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(methylcarbamoyl)-1-(1-oxo-2,9-diazaspiro[4.5]decan-9-yl)-5H-pyrido[4,3-b]indole-7-carboxylic acid?
The IUPAC name of 4-(methylcarbamoyl)-1-(1-oxo-2,9-diazaspiro[4.5]decan-9-yl)-5H-pyrido[4,3-b]indole-7-carboxylic acid (CID 134520748) is 4-(methylcarbamoyl)-1-(1-oxo-2,9-diazaspiro[4.5]decan-9-yl)-5H-pyrido[4,3-b]indole-7-carboxylic acid.
What is the SMILES notation for 4-(methylcarbamoyl)-1-(1-oxo-2,9-diazaspiro[4.5]decan-9-yl)-5H-pyrido[4,3-b]indole-7-carboxylic acid?
The canonical SMILES for 4-(methylcarbamoyl)-1-(1-oxo-2,9-diazaspiro[4.5]decan-9-yl)-5H-pyrido[4,3-b]indole-7-carboxylic acid is CNC(=O)c1cnc(N2CCCC3(CCNC3=O)C2)c2c1[nH]c1cc(C(=O)O)ccc12.
What is the InChIKey of 4-(methylcarbamoyl)-1-(1-oxo-2,9-diazaspiro[4.5]decan-9-yl)-5H-pyrido[4,3-b]indole-7-carboxylic acid?
The InChIKey is INCXUEXGODZOPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N5O4/c1-23-19(28)14-10-25-18(27-8-2-5-22(11-27)6-7-24-21(22)31)16-13-4-3-12(20(29)30)9-15(13)26-17(14)16/h3-4,9-10,26H,2,5-8,11H2,1H3,(H,23,28)(H,24,31)(H,29,30).
What are the key properties of 4-(methylcarbamoyl)-1-(1-oxo-2,9-diazaspiro[4.5]decan-9-yl)-5H-pyrido[4,3-b]indole-7-carboxylic acid?
4-(methylcarbamoyl)-1-(1-oxo-2,9-diazaspiro[4.5]decan-9-yl)-5H-pyrido[4,3-b]indole-7-carboxylic acid has a molecular weight of 421.46 g/mol, XLogP of 1.88, 3 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(methylcarbamoyl)-1-(1-oxo-2,9-diazaspiro[4.5]decan-9-yl)-5H-pyrido[4,3-b]indole-7-carboxylic acid is sourced from PubChem (CID 134520748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).