2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]-6-nitroimidazo[1,2-a]pyridine-7-carboxylic acid

C18H22N4O6 — CID 175026078

IUPAC2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]-6-nitroimidazo[1,2-a]pyridine-7-carboxylic acid
SMILESCC(C)(C)OC(=O)N1CCC(c2cn3cc([N+](=O)[O-])c(C(=O)O)cc3n2)CC1
InChIInChI=1S/C18H22N4O6/c1-18(2,3)28-17(25)20-6-4-11(5-7-20)13-9-21-10-14(22(26)27)12(16(23)24)8-15(21)19-13/h8-11H,4-7H2,1-3H3,(H,23,24)
InChIKeyTUWIGWFVDDCHKV-UHFFFAOYSA-N
MW390.40 g/mol
LogP3.06
Rot. Bonds3

About 2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]-6-nitroimidazo[1,2-a]pyridine-7-carboxylic acid

2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]-6-nitroimidazo[1,2-a]pyridine-7-carboxylic acid (PubChem CID 175026078) has the molecular formula C18H22N4O6 and a molecular weight of 390.40 g/mol. Its IUPAC name is 2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]-6-nitroimidazo[1,2-a]pyridine-7-carboxylic acid.

Molecular Properties

Compound Name2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]-6-nitroimidazo[1,2-a]pyridine-7-carboxylic acid
PubChem CID175026078
Molecular FormulaC18H22N4O6
Molecular Weight390.40 g/mol
Exact Mass390.15
IUPAC Name2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]-6-nitroimidazo[1,2-a]pyridine-7-carboxylic acid
SMILESCC(C)(C)OC(=O)N1CCC(c2cn3cc([N+](=O)[O-])c(C(=O)O)cc3n2)CC1
InChIInChI=1S/C18H22N4O6/c1-18(2,3)28-17(25)20-6-4-11(5-7-20)13-9-21-10-14(22(26)27)12(16(23)24)8-15(21)19-13/h8-11H,4-7H2,1-3H3,(H,23,24)
InChIKeyTUWIGWFVDDCHKV-UHFFFAOYSA-N
XLogP3.06
TPSA127.28 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.40
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]-6-nitroimidazo[1,2-a]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 4-imidazo[1,2-a]pyridin-2-ylpiperidine-1-carboxylate
CID 168797696
tert-butyl 4-(2-iodo-1-methylimidazol-4-yl)piperidine-1-carboxylate
CID 129139631
tert-butyl 4-(4-hydroxy-3-iodo-5-nitrophenyl)piperidine-1-carboxylate
CID 171408597
tert-butyl 3-(6-hydroxyimidazo[1,2-a]pyridin-2-yl)piperidine-1-carboxylate
CID 130407265
4-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]amino]-3-nitrobenzoic acid
CID 51045395
tert-butyl 4-(4-methoxy-1-methylimidazol-2-yl)piperidine-1-carboxylate
CID 68570559
tert-butyl 4-[2-(7-acetyl-2-methylindazol-5-yl)imidazo[2,1-b][1,3]thiazol-6-yl]piperidine-1-carboxylate
CID 178050551
tert-butyl 4-pyridin-2-ylpiperidine-1-carboxylate
CID 11108143
tert-butyl 4-(6-chloro-2-pyridinyl)piperidine-1-carboxylate
CID 134611090
2-methyl-4-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]benzoic acid
CID 134159389
tert-butyl 4-[2-(1,3-dimethylpyrrolo[1,2-a]pyrazin-7-yl)imidazo[2,1-b][1,3]thiazol-6-yl]piperidine-1-carboxylate
CID 178050642
tert-butyl 4-(4-nitropyrazol-1-yl)piperidine-1-carboxylate
CID 56777238

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]-6-nitroimidazo[1,2-a]pyridine-7-carboxylic acid?
The IUPAC name of 2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]-6-nitroimidazo[1,2-a]pyridine-7-carboxylic acid (CID 175026078) is 2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]-6-nitroimidazo[1,2-a]pyridine-7-carboxylic acid.
What is the SMILES notation for 2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]-6-nitroimidazo[1,2-a]pyridine-7-carboxylic acid?
The canonical SMILES for 2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]-6-nitroimidazo[1,2-a]pyridine-7-carboxylic acid is CC(C)(C)OC(=O)N1CCC(c2cn3cc([N+](=O)[O-])c(C(=O)O)cc3n2)CC1.
What is the InChIKey of 2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]-6-nitroimidazo[1,2-a]pyridine-7-carboxylic acid?
The InChIKey is TUWIGWFVDDCHKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O6/c1-18(2,3)28-17(25)20-6-4-11(5-7-20)13-9-21-10-14(22(26)27)12(16(23)24)8-15(21)19-13/h8-11H,4-7H2,1-3H3,(H,23,24).
What are the key properties of 2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]-6-nitroimidazo[1,2-a]pyridine-7-carboxylic acid?
2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]-6-nitroimidazo[1,2-a]pyridine-7-carboxylic acid has a molecular weight of 390.40 g/mol, XLogP of 3.06, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]-6-nitroimidazo[1,2-a]pyridine-7-carboxylic acid is sourced from PubChem (CID 175026078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).