2-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-2-yl]methyl]-1H-imidazo[4,5-b]pyridine-7-carboxylic acid

C18H24N4O4 — CID 122687174

IUPAC2-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-2-yl]methyl]-1H-imidazo[4,5-b]pyridine-7-carboxylic acid
SMILESCC(C)(C)OC(=O)N1CCCCC1Cc1nc2nccc(C(=O)O)c2[nH]1
InChIInChI=1S/C18H24N4O4/c1-18(2,3)26-17(25)22-9-5-4-6-11(22)10-13-20-14-12(16(23)24)7-8-19-15(14)21-13/h7-8,11H,4-6,9-10H2,1-3H3,(H,23,24)(H,19,20,21)
InChIKeyOSADSCJHZATVAK-UHFFFAOYSA-N
MW360.41 g/mol
LogP2.99
Rot. Bonds3

About 2-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-2-yl]methyl]-1H-imidazo[4,5-b]pyridine-7-carboxylic acid

2-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-2-yl]methyl]-1H-imidazo[4,5-b]pyridine-7-carboxylic acid (PubChem CID 122687174) has the molecular formula C18H24N4O4 and a molecular weight of 360.41 g/mol. Its IUPAC name is 2-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-2-yl]methyl]-1H-imidazo[4,5-b]pyridine-7-carboxylic acid.

Molecular Properties

Compound Name2-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-2-yl]methyl]-1H-imidazo[4,5-b]pyridine-7-carboxylic acid
PubChem CID122687174
Molecular FormulaC18H24N4O4
Molecular Weight360.41 g/mol
Exact Mass360.18
IUPAC Name2-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-2-yl]methyl]-1H-imidazo[4,5-b]pyridine-7-carboxylic acid
SMILESCC(C)(C)OC(=O)N1CCCCC1Cc1nc2nccc(C(=O)O)c2[nH]1
InChIInChI=1S/C18H24N4O4/c1-18(2,3)26-17(25)22-9-5-4-6-11(22)10-13-20-14-12(16(23)24)7-8-19-15(14)21-13/h7-8,11H,4-6,9-10H2,1-3H3,(H,23,24)(H,19,20,21)
InChIKeyOSADSCJHZATVAK-UHFFFAOYSA-N
XLogP2.99
TPSA108.41 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.41
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-2-yl]methyl]-1H-imidazo[4,5-b]pyridine-7-carboxylic acid with MolForge

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

Launch Full Analysis

Related Compounds

tert-butyl 2-[(2-chloropyrimidin-4-yl)oxymethyl]piperidine-1-carboxylate
CID 71631756
tert-butyl 2-[[5-(4-fluorophenyl)-1H-imidazol-2-yl]methyl]piperidine-1-carboxylate
CID 91219511
tert-butyl 2-[(5,6-difluoro-1H-benzimidazol-2-yl)methyl]piperidine-1-carboxylate
CID 66968258
tert-butyl (2R)-2-benzylpiperidine-1-carboxylate
CID 67726841
tert-butyl (2S)-2-benzylpiperidine-1-carboxylate
CID 94006022
tert-butyl (2R)-2-[2-(2-chloropyrimidin-4-yl)oxyethyl]piperidine-1-carboxylate
CID 97173304
tert-butyl (2S)-2-[(2-chloropyrimidin-4-yl)methoxymethyl]piperidine-1-carboxylate
CID 97173670
tert-butyl (2S)-2-[[(R)-(2-chloropyrimidin-4-yl)sulfinyl]methyl]piperidine-1-carboxylate
CID 97173774
tert-butyl (2R)-2-[(4-chloropyrimidin-2-yl)oxymethyl]piperidine-1-carboxylate
CID 97173569
tert-butyl (2S)-2-[(4-chloropyrimidin-2-yl)oxymethyl]piperidine-1-carboxylate
CID 97173570
tert-butyl (2S)-2-(1H-imidazo[4,5-b]pyridin-2-yloxymethyl)pyrrolidine-1-carboxylate
CID 97172907
tert-butyl 2-[[(2-chloropyrimidin-4-yl)methylamino]methyl]piperidine-1-carboxylate
CID 71631733

Frequently Asked Questions

What is the IUPAC name of 2-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-2-yl]methyl]-1H-imidazo[4,5-b]pyridine-7-carboxylic acid?
The IUPAC name of 2-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-2-yl]methyl]-1H-imidazo[4,5-b]pyridine-7-carboxylic acid (CID 122687174) is 2-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-2-yl]methyl]-1H-imidazo[4,5-b]pyridine-7-carboxylic acid.
What is the SMILES notation for 2-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-2-yl]methyl]-1H-imidazo[4,5-b]pyridine-7-carboxylic acid?
The canonical SMILES for 2-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-2-yl]methyl]-1H-imidazo[4,5-b]pyridine-7-carboxylic acid is CC(C)(C)OC(=O)N1CCCCC1Cc1nc2nccc(C(=O)O)c2[nH]1.
What is the InChIKey of 2-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-2-yl]methyl]-1H-imidazo[4,5-b]pyridine-7-carboxylic acid?
The InChIKey is OSADSCJHZATVAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O4/c1-18(2,3)26-17(25)22-9-5-4-6-11(22)10-13-20-14-12(16(23)24)7-8-19-15(14)21-13/h7-8,11H,4-6,9-10H2,1-3H3,(H,23,24)(H,19,20,21).
What are the key properties of 2-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-2-yl]methyl]-1H-imidazo[4,5-b]pyridine-7-carboxylic acid?
2-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-2-yl]methyl]-1H-imidazo[4,5-b]pyridine-7-carboxylic acid has a molecular weight of 360.41 g/mol, XLogP of 2.99, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-2-yl]methyl]-1H-imidazo[4,5-b]pyridine-7-carboxylic acid is sourced from PubChem (CID 122687174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).