6-[2-(3-imidazol-1-ylpropyl)-3-oxo-2,9-diazaspiro[5.5]undecan-9-yl]pyridine-2-carboxylic acid

C21H27N5O3 — CID 72900574

IUPAC6-[2-(3-imidazol-1-ylpropyl)-3-oxo-2,9-diazaspiro[5.5]undecan-9-yl]pyridine-2-carboxylic acid
SMILESO=C(O)c1cccc(N2CCC3(CCC(=O)N(CCCn4ccnc4)C3)CC2)n1
InChIInChI=1S/C21H27N5O3/c27-19-5-6-21(15-26(19)11-2-10-24-14-9-22-16-24)7-12-25(13-8-21)18-4-1-3-17(23-18)20(28)29/h1,3-4,9,14,16H,2,5-8,10-13,15H2,(H,28,29)
InChIKeyYFTMIDGRSMSNPI-UHFFFAOYSA-N
MW397.48 g/mol
LogP2.28
Rot. Bonds6

About 6-[2-(3-imidazol-1-ylpropyl)-3-oxo-2,9-diazaspiro[5.5]undecan-9-yl]pyridine-2-carboxylic acid

6-[2-(3-imidazol-1-ylpropyl)-3-oxo-2,9-diazaspiro[5.5]undecan-9-yl]pyridine-2-carboxylic acid (PubChem CID 72900574) has the molecular formula C21H27N5O3 and a molecular weight of 397.48 g/mol. Its IUPAC name is 6-[2-(3-imidazol-1-ylpropyl)-3-oxo-2,9-diazaspiro[5.5]undecan-9-yl]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name6-[2-(3-imidazol-1-ylpropyl)-3-oxo-2,9-diazaspiro[5.5]undecan-9-yl]pyridine-2-carboxylic acid
PubChem CID72900574
Molecular FormulaC21H27N5O3
Molecular Weight397.48 g/mol
Exact Mass397.21
IUPAC Name6-[2-(3-imidazol-1-ylpropyl)-3-oxo-2,9-diazaspiro[5.5]undecan-9-yl]pyridine-2-carboxylic acid
SMILESO=C(O)c1cccc(N2CCC3(CCC(=O)N(CCCn4ccnc4)C3)CC2)n1
InChIInChI=1S/C21H27N5O3/c27-19-5-6-21(15-26(19)11-2-10-24-14-9-22-16-24)7-12-25(13-8-21)18-4-1-3-17(23-18)20(28)29/h1,3-4,9,14,16H,2,5-8,10-13,15H2,(H,28,29)
InChIKeyYFTMIDGRSMSNPI-UHFFFAOYSA-N
XLogP2.28
TPSA91.56 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.48
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 6-[2-(3-imidazol-1-ylpropyl)-3-oxo-2,9-diazaspiro[5.5]undecan-9-yl]pyridine-2-carboxylic acid with MolForge

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Related Compounds

6-[3-oxo-2-(2-pyridin-2-ylethyl)-2,9-diazaspiro[5.5]undecan-9-yl]pyridine-2-carboxylic acid
CID 72862263
9-[(2R)-2-hydroxybutanoyl]-2-(3-imidazol-1-ylpropyl)-2,9-diazaspiro[5.5]undecan-3-one
CID 97136061
2-(3-imidazol-1-ylpropyl)-9-[(2S)-2-pyrrolidin-1-ylpropanoyl]-2,9-diazaspiro[5.5]undecan-3-one
CID 97279786
2-(3-hydroxypropyl)-9-(2-methylsulfanylpyrimidin-4-yl)-2,9-diazaspiro[5.5]undecan-3-one
CID 70781998
(5S)-1-(2-imidazol-1-ylethyl)-5-methyl-5-phenylpiperidin-2-one
CID 97146233
8-(3-imidazol-1-ylpropanoyl)-2-(3-methoxypropyl)-2,8-diazaspiro[5.5]undecan-3-one
CID 70732876
(6R)-2-benzyl-8-(2-imidazol-1-ylethyl)-2,8-diazaspiro[5.5]undecan-3-one
CID 95885755
6-(4-imidazol-1-ylpiperidin-1-yl)pyridine-2-carboxylic acid
CID 122053398
(5R)-1-(3-imidazol-1-ylpropyl)-5-methyl-5-(4-methylpent-3-enyl)piperidin-2-one
CID 97152133
6-(4,4-dimethylazepan-1-yl)pyridine-2-carboxylic acid
CID 65283066
2-(3-hydroxypropyl)-9-[4-(trifluoromethyl)-2-pyridinyl]-2,9-diazaspiro[5.5]undecan-3-one
CID 70780884
6-(3-imidazol-1-ylpropanoylamino)pyridine-2-carboxylic acid
CID 63643768

Frequently Asked Questions

What is the IUPAC name of 6-[2-(3-imidazol-1-ylpropyl)-3-oxo-2,9-diazaspiro[5.5]undecan-9-yl]pyridine-2-carboxylic acid?
The IUPAC name of 6-[2-(3-imidazol-1-ylpropyl)-3-oxo-2,9-diazaspiro[5.5]undecan-9-yl]pyridine-2-carboxylic acid (CID 72900574) is 6-[2-(3-imidazol-1-ylpropyl)-3-oxo-2,9-diazaspiro[5.5]undecan-9-yl]pyridine-2-carboxylic acid.
What is the SMILES notation for 6-[2-(3-imidazol-1-ylpropyl)-3-oxo-2,9-diazaspiro[5.5]undecan-9-yl]pyridine-2-carboxylic acid?
The canonical SMILES for 6-[2-(3-imidazol-1-ylpropyl)-3-oxo-2,9-diazaspiro[5.5]undecan-9-yl]pyridine-2-carboxylic acid is O=C(O)c1cccc(N2CCC3(CCC(=O)N(CCCn4ccnc4)C3)CC2)n1.
What is the InChIKey of 6-[2-(3-imidazol-1-ylpropyl)-3-oxo-2,9-diazaspiro[5.5]undecan-9-yl]pyridine-2-carboxylic acid?
The InChIKey is YFTMIDGRSMSNPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N5O3/c27-19-5-6-21(15-26(19)11-2-10-24-14-9-22-16-24)7-12-25(13-8-21)18-4-1-3-17(23-18)20(28)29/h1,3-4,9,14,16H,2,5-8,10-13,15H2,(H,28,29).
What are the key properties of 6-[2-(3-imidazol-1-ylpropyl)-3-oxo-2,9-diazaspiro[5.5]undecan-9-yl]pyridine-2-carboxylic acid?
6-[2-(3-imidazol-1-ylpropyl)-3-oxo-2,9-diazaspiro[5.5]undecan-9-yl]pyridine-2-carboxylic acid has a molecular weight of 397.48 g/mol, XLogP of 2.28, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(3-imidazol-1-ylpropyl)-3-oxo-2,9-diazaspiro[5.5]undecan-9-yl]pyridine-2-carboxylic acid is sourced from PubChem (CID 72900574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).