1-(4-hydroxy-1-oxo-2,9-diazaspiro[4.5]decan-9-yl)-5H-pyrido[4,3-b]indole-4-carbaldehyde

C20H20N4O3 — CID 145166461

IUPAC1-(4-hydroxy-1-oxo-2,9-diazaspiro[4.5]decan-9-yl)-5H-pyrido[4,3-b]indole-4-carbaldehyde
SMILESO=Cc1cnc(N2CCCC3(C2)C(=O)NCC3O)c2c1[nH]c1ccccc12
InChIInChI=1S/C20H20N4O3/c25-10-12-8-21-18(16-13-4-1-2-5-14(13)23-17(12)16)24-7-3-6-20(11-24)15(26)9-22-19(20)27/h1-2,4-5,8,10,15,23,26H,3,6-7,9,11H2,(H,22,27)
InChIKeyRDEKAAZEWMJYJZ-UHFFFAOYSA-N
MW364.41 g/mol
LogP1.61
Rot. Bonds2

About 1-(4-hydroxy-1-oxo-2,9-diazaspiro[4.5]decan-9-yl)-5H-pyrido[4,3-b]indole-4-carbaldehyde

1-(4-hydroxy-1-oxo-2,9-diazaspiro[4.5]decan-9-yl)-5H-pyrido[4,3-b]indole-4-carbaldehyde (PubChem CID 145166461) has the molecular formula C20H20N4O3 and a molecular weight of 364.41 g/mol. Its IUPAC name is 1-(4-hydroxy-1-oxo-2,9-diazaspiro[4.5]decan-9-yl)-5H-pyrido[4,3-b]indole-4-carbaldehyde.

Molecular Properties

Compound Name1-(4-hydroxy-1-oxo-2,9-diazaspiro[4.5]decan-9-yl)-5H-pyrido[4,3-b]indole-4-carbaldehyde
PubChem CID145166461
Molecular FormulaC20H20N4O3
Molecular Weight364.41 g/mol
Exact Mass364.15
IUPAC Name1-(4-hydroxy-1-oxo-2,9-diazaspiro[4.5]decan-9-yl)-5H-pyrido[4,3-b]indole-4-carbaldehyde
SMILESO=Cc1cnc(N2CCCC3(C2)C(=O)NCC3O)c2c1[nH]c1ccccc12
InChIInChI=1S/C20H20N4O3/c25-10-12-8-21-18(16-13-4-1-2-5-14(13)23-17(12)16)24-7-3-6-20(11-24)15(26)9-22-19(20)27/h1-2,4-5,8,10,15,23,26H,3,6-7,9,11H2,(H,22,27)
InChIKeyRDEKAAZEWMJYJZ-UHFFFAOYSA-N
XLogP1.61
TPSA98.32 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.41
LogP ≤ 51.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-(2-oxa-9-azaspiro[4.5]decan-9-yl)-5H-pyrido[4,3-b]indole-4-carbaldehyde
CID 146582980
1-[(5R)-1-oxo-2,9-diazaspiro[4.5]decan-9-yl]-5H-pyrido[4,3-b]indole-4-carboxamide
CID 122604888
8-(1-methylpiperidin-4-yl)-1-(1-oxo-2,9-diazaspiro[4.5]decan-9-yl)-5H-pyrido[4,3-b]indole-4-carbaldehyde
CID 146583110
1-[3-formyl-3-[1-hydroxy-2-(methylamino)ethyl]piperidin-1-yl]-5H-pyrido[4,3-b]indole-4-carboxamide
CID 145168143
1-[(6R)-2-(4-fluorophenyl)-1-oxo-2,8-diazaspiro[5.5]undecan-8-yl]-5H-pyrido[4,3-b]indole-4-carboxamide
CID 122604881
(6R,11S)-11-hydroxy-8-isoquinolin-1-yl-2,8-diazaspiro[5.5]undecan-1-one
CID 163318749
4-carbamoyl-1-(1-oxo-2,9-diazaspiro[4.5]decan-9-yl)-5H-pyrido[4,3-b]indole-8-carboxylic acid
CID 122608563
acetaldehyde;1-[3-formyl-3-[2-(methylamino)ethyl]piperidin-1-yl]-7-(1-methylpiperidin-4-yl)-5H-pyrido[4,3-b]indole-4-carbaldehyde;methanamine
CID 145168146
1-(1-oxo-2,9-diazaspiro[4.5]decan-9-yl)-7-piperidin-3-yl-5H-pyrido[4,3-b]indole-4-carboxamide
CID 122604763
5-(4-hydroxy-1-oxo-2,9-diazaspiro[4.5]decan-9-yl)pyrido[4,3-b]indole-4-carboxamide
CID 122604817
4-(methylcarbamoyl)-1-(1-oxo-2,9-diazaspiro[4.5]decan-9-yl)-5H-pyrido[4,3-b]indole-7-carboxylic acid
CID 134520748
(6R,11R)-11-hydroxy-8-quinolin-4-yl-2,8-diazaspiro[5.5]undecan-1-one
CID 164695502

Frequently Asked Questions

What is the IUPAC name of 1-(4-hydroxy-1-oxo-2,9-diazaspiro[4.5]decan-9-yl)-5H-pyrido[4,3-b]indole-4-carbaldehyde?
The IUPAC name of 1-(4-hydroxy-1-oxo-2,9-diazaspiro[4.5]decan-9-yl)-5H-pyrido[4,3-b]indole-4-carbaldehyde (CID 145166461) is 1-(4-hydroxy-1-oxo-2,9-diazaspiro[4.5]decan-9-yl)-5H-pyrido[4,3-b]indole-4-carbaldehyde.
What is the SMILES notation for 1-(4-hydroxy-1-oxo-2,9-diazaspiro[4.5]decan-9-yl)-5H-pyrido[4,3-b]indole-4-carbaldehyde?
The canonical SMILES for 1-(4-hydroxy-1-oxo-2,9-diazaspiro[4.5]decan-9-yl)-5H-pyrido[4,3-b]indole-4-carbaldehyde is O=Cc1cnc(N2CCCC3(C2)C(=O)NCC3O)c2c1[nH]c1ccccc12.
What is the InChIKey of 1-(4-hydroxy-1-oxo-2,9-diazaspiro[4.5]decan-9-yl)-5H-pyrido[4,3-b]indole-4-carbaldehyde?
The InChIKey is RDEKAAZEWMJYJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O3/c25-10-12-8-21-18(16-13-4-1-2-5-14(13)23-17(12)16)24-7-3-6-20(11-24)15(26)9-22-19(20)27/h1-2,4-5,8,10,15,23,26H,3,6-7,9,11H2,(H,22,27).
What are the key properties of 1-(4-hydroxy-1-oxo-2,9-diazaspiro[4.5]decan-9-yl)-5H-pyrido[4,3-b]indole-4-carbaldehyde?
1-(4-hydroxy-1-oxo-2,9-diazaspiro[4.5]decan-9-yl)-5H-pyrido[4,3-b]indole-4-carbaldehyde has a molecular weight of 364.41 g/mol, XLogP of 1.61, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-hydroxy-1-oxo-2,9-diazaspiro[4.5]decan-9-yl)-5H-pyrido[4,3-b]indole-4-carbaldehyde is sourced from PubChem (CID 145166461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).