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

C20H21N5O2 — CID 122604888

IUPAC1-[(5R)-1-oxo-2,9-diazaspiro[4.5]decan-9-yl]-5H-pyrido[4,3-b]indole-4-carboxamide
SMILESNC(=O)c1cnc(N2CCC[C@@]3(CCNC3=O)C2)c2c1[nH]c1ccccc12
InChIInChI=1S/C20H21N5O2/c21-17(26)13-10-23-18(15-12-4-1-2-5-14(12)24-16(13)15)25-9-3-6-20(11-25)7-8-22-19(20)27/h1-2,4-5,10,24H,3,6-9,11H2,(H2,21,26)(H,22,27)/t20-/m1/s1
InChIKeyGXAVVHDEHZWGPQ-HXUWFJFHSA-N
MW363.42 g/mol
LogP1.92
Rot. Bonds2

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

1-[(5R)-1-oxo-2,9-diazaspiro[4.5]decan-9-yl]-5H-pyrido[4,3-b]indole-4-carboxamide (PubChem CID 122604888) has the molecular formula C20H21N5O2 and a molecular weight of 363.42 g/mol. Its IUPAC name is 1-[(5R)-1-oxo-2,9-diazaspiro[4.5]decan-9-yl]-5H-pyrido[4,3-b]indole-4-carboxamide.

Molecular Properties

Compound Name1-[(5R)-1-oxo-2,9-diazaspiro[4.5]decan-9-yl]-5H-pyrido[4,3-b]indole-4-carboxamide
PubChem CID122604888
Molecular FormulaC20H21N5O2
Molecular Weight363.42 g/mol
Exact Mass363.17
IUPAC Name1-[(5R)-1-oxo-2,9-diazaspiro[4.5]decan-9-yl]-5H-pyrido[4,3-b]indole-4-carboxamide
SMILESNC(=O)c1cnc(N2CCC[C@@]3(CCNC3=O)C2)c2c1[nH]c1ccccc12
InChIInChI=1S/C20H21N5O2/c21-17(26)13-10-23-18(15-12-4-1-2-5-14(12)24-16(13)15)25-9-3-6-20(11-25)7-8-22-19(20)27/h1-2,4-5,10,24H,3,6-9,11H2,(H2,21,26)(H,22,27)/t20-/m1/s1
InChIKeyGXAVVHDEHZWGPQ-HXUWFJFHSA-N
XLogP1.92
TPSA104.11 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.42
LogP ≤ 51.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 1-[(5R)-1-oxo-2,9-diazaspiro[4.5]decan-9-yl]-5H-pyrido[4,3-b]indole-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[(5R)-1-oxo-2,9-diazaspiro[4.5]decan-9-yl]-5H-pyrido[4,3-b]indole-4-carboxamide?
The IUPAC name of 1-[(5R)-1-oxo-2,9-diazaspiro[4.5]decan-9-yl]-5H-pyrido[4,3-b]indole-4-carboxamide (CID 122604888) is 1-[(5R)-1-oxo-2,9-diazaspiro[4.5]decan-9-yl]-5H-pyrido[4,3-b]indole-4-carboxamide.
What is the SMILES notation for 1-[(5R)-1-oxo-2,9-diazaspiro[4.5]decan-9-yl]-5H-pyrido[4,3-b]indole-4-carboxamide?
The canonical SMILES for 1-[(5R)-1-oxo-2,9-diazaspiro[4.5]decan-9-yl]-5H-pyrido[4,3-b]indole-4-carboxamide is NC(=O)c1cnc(N2CCC[C@@]3(CCNC3=O)C2)c2c1[nH]c1ccccc12.
What is the InChIKey of 1-[(5R)-1-oxo-2,9-diazaspiro[4.5]decan-9-yl]-5H-pyrido[4,3-b]indole-4-carboxamide?
The InChIKey is GXAVVHDEHZWGPQ-HXUWFJFHSA-N. The full InChI is InChI=1S/C20H21N5O2/c21-17(26)13-10-23-18(15-12-4-1-2-5-14(12)24-16(13)15)25-9-3-6-20(11-25)7-8-22-19(20)27/h1-2,4-5,10,24H,3,6-9,11H2,(H2,21,26)(H,22,27)/t20-/m1/s1.
What are the key properties of 1-[(5R)-1-oxo-2,9-diazaspiro[4.5]decan-9-yl]-5H-pyrido[4,3-b]indole-4-carboxamide?
1-[(5R)-1-oxo-2,9-diazaspiro[4.5]decan-9-yl]-5H-pyrido[4,3-b]indole-4-carboxamide has a molecular weight of 363.42 g/mol, XLogP of 1.92, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5R)-1-oxo-2,9-diazaspiro[4.5]decan-9-yl]-5H-pyrido[4,3-b]indole-4-carboxamide is sourced from PubChem (CID 122604888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).