3-[6-(6-chloroimidazo[1,2-a]pyridin-3-yl)-2-pyridinyl]-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-3-carboxylic acid

C23H25ClN4O4 — CID 132772977

IUPAC3-[6-(6-chloroimidazo[1,2-a]pyridin-3-yl)-2-pyridinyl]-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-3-carboxylic acid
SMILESCC(C)(C)OC(=O)N1CCCC(C(=O)O)(c2cccc(-c3cnc4ccc(Cl)cn34)n2)C1
InChIInChI=1S/C23H25ClN4O4/c1-22(2,3)32-21(31)27-11-5-10-23(14-27,20(29)30)18-7-4-6-16(26-18)17-12-25-19-9-8-15(24)13-28(17)19/h4,6-9,12-13H,5,10-11,14H2,1-3H3,(H,29,30)
InChIKeySADOUVJURDEHSO-UHFFFAOYSA-N
MW456.93 g/mol
LogP4.40
Rot. Bonds3

About 3-[6-(6-chloroimidazo[1,2-a]pyridin-3-yl)-2-pyridinyl]-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-3-carboxylic acid

3-[6-(6-chloroimidazo[1,2-a]pyridin-3-yl)-2-pyridinyl]-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-3-carboxylic acid (PubChem CID 132772977) has the molecular formula C23H25ClN4O4 and a molecular weight of 456.93 g/mol. Its IUPAC name is 3-[6-(6-chloroimidazo[1,2-a]pyridin-3-yl)-2-pyridinyl]-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-3-carboxylic acid.

Molecular Properties

Compound Name3-[6-(6-chloroimidazo[1,2-a]pyridin-3-yl)-2-pyridinyl]-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-3-carboxylic acid
PubChem CID132772977
Molecular FormulaC23H25ClN4O4
Molecular Weight456.93 g/mol
Exact Mass456.16
IUPAC Name3-[6-(6-chloroimidazo[1,2-a]pyridin-3-yl)-2-pyridinyl]-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-3-carboxylic acid
SMILESCC(C)(C)OC(=O)N1CCCC(C(=O)O)(c2cccc(-c3cnc4ccc(Cl)cn34)n2)C1
InChIInChI=1S/C23H25ClN4O4/c1-22(2,3)32-21(31)27-11-5-10-23(14-27,20(29)30)18-7-4-6-16(26-18)17-12-25-19-9-8-15(24)13-28(17)19/h4,6-9,12-13H,5,10-11,14H2,1-3H3,(H,29,30)
InChIKeySADOUVJURDEHSO-UHFFFAOYSA-N
XLogP4.40
TPSA97.03 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.93
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 3-[6-(6-chloroimidazo[1,2-a]pyridin-3-yl)-2-pyridinyl]-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-3-carboxylic acid with MolForge

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Related Compounds

tert-butyl 3-[[6-(6-chloroimidazo[1,2-a]pyridin-3-yl)-2-pyridinyl]methyl]-1-oxa-8-azaspiro[4.5]decane-8-carboxylate
CID 175656484
[3-[6-(6-chloroimidazo[1,2-a]pyridin-3-yl)-2-pyridinyl]piperidin-1-yl]-(4,4-difluorocyclohexyl)methanone
CID 155987018
[3-[6-(6-chloroimidazo[1,2-a]pyridin-3-yl)-2-pyridinyl]piperidin-1-yl]-(1-methylpiperidin-4-yl)methanone
CID 155987008
1-[3-[6-(6-chloroimidazo[1,2-a]pyridin-3-yl)-2-pyridinyl]piperidin-1-yl]propan-1-one
CID 132765425
[3-[6-(6-chloroimidazo[1,2-a]pyridin-3-yl)-2-pyridinyl]piperidin-1-yl]-pyridin-4-ylmethanone
CID 132772039
tert-butyl (3S,4S)-3-[[6-(6-chloroimidazo[1,2-a]pyrazin-3-yl)-2-pyridinyl]amino]-4-fluoropyrrolidine-1-carboxylate
CID 164560959
3-(6-bromo-2-pyridinyl)-6-chloroimidazo[1,2-a]pyridine
CID 70700368
tert-butyl (3S,4S)-3-fluoro-4-[[6-[6-[1-(trifluoromethyl)cyclopropyl]imidazo[1,2-a]pyridin-3-yl]-2-pyridinyl]amino]pyrrolidine-1-carboxylate
CID 163677775
1-[(2-methylpropan-2-yl)oxycarbonyl]-3-(pyrimidin-2-ylmethyl)piperidine-3-carboxylic acid
CID 103719533
tert-butyl 3-[[6-(6-chloro-7-propan-2-yloxyimidazo[1,2-a]pyridin-3-yl)-2-pyridinyl]amino]pyrrolidine-1-carboxylate
CID 166961772
tert-butyl 2-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-2,8-diazaspiro[3.5]nonane-8-carboxylate
CID 139343732
(3S)-3-amino-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-3-carboxylic acid
CID 26601059

Frequently Asked Questions

What is the IUPAC name of 3-[6-(6-chloroimidazo[1,2-a]pyridin-3-yl)-2-pyridinyl]-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-3-carboxylic acid?
The IUPAC name of 3-[6-(6-chloroimidazo[1,2-a]pyridin-3-yl)-2-pyridinyl]-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-3-carboxylic acid (CID 132772977) is 3-[6-(6-chloroimidazo[1,2-a]pyridin-3-yl)-2-pyridinyl]-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-3-carboxylic acid.
What is the SMILES notation for 3-[6-(6-chloroimidazo[1,2-a]pyridin-3-yl)-2-pyridinyl]-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-3-carboxylic acid?
The canonical SMILES for 3-[6-(6-chloroimidazo[1,2-a]pyridin-3-yl)-2-pyridinyl]-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-3-carboxylic acid is CC(C)(C)OC(=O)N1CCCC(C(=O)O)(c2cccc(-c3cnc4ccc(Cl)cn34)n2)C1.
What is the InChIKey of 3-[6-(6-chloroimidazo[1,2-a]pyridin-3-yl)-2-pyridinyl]-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-3-carboxylic acid?
The InChIKey is SADOUVJURDEHSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25ClN4O4/c1-22(2,3)32-21(31)27-11-5-10-23(14-27,20(29)30)18-7-4-6-16(26-18)17-12-25-19-9-8-15(24)13-28(17)19/h4,6-9,12-13H,5,10-11,14H2,1-3H3,(H,29,30).
What are the key properties of 3-[6-(6-chloroimidazo[1,2-a]pyridin-3-yl)-2-pyridinyl]-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-3-carboxylic acid?
3-[6-(6-chloroimidazo[1,2-a]pyridin-3-yl)-2-pyridinyl]-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-3-carboxylic acid has a molecular weight of 456.93 g/mol, XLogP of 4.40, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-(6-chloroimidazo[1,2-a]pyridin-3-yl)-2-pyridinyl]-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-3-carboxylic acid is sourced from PubChem (CID 132772977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).