2-cyclohexyl-7-propan-2-yloxyimidazo[1,2-a]pyridine-6-carboxylic acid;ethane;methoxymethylbenzene

C27H38N2O4 — CID 166471814

IUPAC2-cyclohexyl-7-propan-2-yloxyimidazo[1,2-a]pyridine-6-carboxylic acid;ethane;methoxymethylbenzene
SMILESCC.CC(C)Oc1cc2nc(C3CCCCC3)cn2cc1C(=O)O.COCc1ccccc1
InChIInChI=1S/C17H22N2O3.C8H10O.C2H6/c1-11(2)22-15-8-16-18-14(12-6-4-3-5-7-12)10-19(16)9-13(15)17(20)21;1-9-7-8-5-3-2-4-6-8;1-2/h8-12H,3-7H2,1-2H3,(H,20,21);2-6H,7H2,1H3;1-2H3
InChIKeyBAONGXRXJYBYIJ-UHFFFAOYSA-N
MW454.61 g/mol
LogP6.73
Rot. Bonds6

About 2-cyclohexyl-7-propan-2-yloxyimidazo[1,2-a]pyridine-6-carboxylic acid;ethane;methoxymethylbenzene

2-cyclohexyl-7-propan-2-yloxyimidazo[1,2-a]pyridine-6-carboxylic acid;ethane;methoxymethylbenzene (PubChem CID 166471814) has the molecular formula C27H38N2O4 and a molecular weight of 454.61 g/mol. Its IUPAC name is 2-cyclohexyl-7-propan-2-yloxyimidazo[1,2-a]pyridine-6-carboxylic acid;ethane;methoxymethylbenzene.

Molecular Properties

Compound Name2-cyclohexyl-7-propan-2-yloxyimidazo[1,2-a]pyridine-6-carboxylic acid;ethane;methoxymethylbenzene
PubChem CID166471814
Molecular FormulaC27H38N2O4
Molecular Weight454.61 g/mol
Exact Mass454.28
IUPAC Name2-cyclohexyl-7-propan-2-yloxyimidazo[1,2-a]pyridine-6-carboxylic acid;ethane;methoxymethylbenzene
SMILESCC.CC(C)Oc1cc2nc(C3CCCCC3)cn2cc1C(=O)O.COCc1ccccc1
InChIInChI=1S/C17H22N2O3.C8H10O.C2H6/c1-11(2)22-15-8-16-18-14(12-6-4-3-5-7-12)10-19(16)9-13(15)17(20)21;1-9-7-8-5-3-2-4-6-8;1-2/h8-12H,3-7H2,1-2H3,(H,20,21);2-6H,7H2,1H3;1-2H3
InChIKeyBAONGXRXJYBYIJ-UHFFFAOYSA-N
XLogP6.73
TPSA73.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500454.61
LogP ≤ 56.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-cyclopropyl-7-phenylmethoxyimidazo[1,2-a]pyridine-6-carboxylic acid
CID 155437086
2-(oxan-2-yl)-7-propan-2-yloxyimidazo[1,2-a]pyridine-6-carboxylic acid
CID 155443896
ethane;methoxymethylbenzene;methyl 2-cyclohexyl-6-propan-2-yloxyindazole-5-carboxylate
CID 166472245
2-cyclohexyl-N-(1-cyclopropyl-2-oxo-3-pyridinyl)-7-propan-2-yloxyimidazo[1,2-a]pyridine-6-carboxamide
CID 166471835
2-cyclohexyl-7-propan-2-yloxy-N-[6-(trifluoromethyl)-2-pyridinyl]imidazo[1,2-a]pyridine-6-carboxamide;methanol
CID 166472332
7-propan-2-yloxy-2-(trifluoromethyl)imidazo[1,2-a]pyridine-6-carboxylic acid
CID 163409780
2-cyclohexyl-7-propan-2-yloxy-N-pyrazolo[1,5-a]pyrimidin-3-ylimidazo[1,2-a]pyridine-6-carboxamide;methanol
CID 166472058
N-[6-(cyanomethyl)-2-pyridinyl]-2-cyclopropyl-7-propan-2-yloxyimidazo[1,2-a]pyridine-6-carboxamide
CID 167420227
N-[6-(difluoromethyl)-2-pyridinyl]-2-piperidin-4-yl-7-propan-2-yloxyimidazo[1,2-a]pyridine-6-carboxamide
CID 166472198
7-cyclopentyloxy-2-cyclopropyl-N-(6-methoxy-2-pyridinyl)imidazo[1,2-a]pyridine-6-carboxamide
CID 167419980
2-cyclohexyl-7-propan-2-yloxy-N-[6-(trifluoromethyl)-2-pyridinyl]imidazo[1,2-a]pyridine-6-carboxamide;3-[3-[4-(dimethylamino)piperidin-1-yl]phenyl]piperidine-2,6-dione
CID 166472264
ethyl 6-bromo-2-[4-(phenylmethoxymethyl)cyclohexyl]imidazo[1,2-a]pyridine-7-carboxylate
CID 164567258

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-7-propan-2-yloxyimidazo[1,2-a]pyridine-6-carboxylic acid;ethane;methoxymethylbenzene?
The IUPAC name of 2-cyclohexyl-7-propan-2-yloxyimidazo[1,2-a]pyridine-6-carboxylic acid;ethane;methoxymethylbenzene (CID 166471814) is 2-cyclohexyl-7-propan-2-yloxyimidazo[1,2-a]pyridine-6-carboxylic acid;ethane;methoxymethylbenzene.
What is the SMILES notation for 2-cyclohexyl-7-propan-2-yloxyimidazo[1,2-a]pyridine-6-carboxylic acid;ethane;methoxymethylbenzene?
The canonical SMILES for 2-cyclohexyl-7-propan-2-yloxyimidazo[1,2-a]pyridine-6-carboxylic acid;ethane;methoxymethylbenzene is CC.CC(C)Oc1cc2nc(C3CCCCC3)cn2cc1C(=O)O.COCc1ccccc1.
What is the InChIKey of 2-cyclohexyl-7-propan-2-yloxyimidazo[1,2-a]pyridine-6-carboxylic acid;ethane;methoxymethylbenzene?
The InChIKey is BAONGXRXJYBYIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O3.C8H10O.C2H6/c1-11(2)22-15-8-16-18-14(12-6-4-3-5-7-12)10-19(16)9-13(15)17(20)21;1-9-7-8-5-3-2-4-6-8;1-2/h8-12H,3-7H2,1-2H3,(H,20,21);2-6H,7H2,1H3;1-2H3.
What are the key properties of 2-cyclohexyl-7-propan-2-yloxyimidazo[1,2-a]pyridine-6-carboxylic acid;ethane;methoxymethylbenzene?
2-cyclohexyl-7-propan-2-yloxyimidazo[1,2-a]pyridine-6-carboxylic acid;ethane;methoxymethylbenzene has a molecular weight of 454.61 g/mol, XLogP of 6.73, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-7-propan-2-yloxyimidazo[1,2-a]pyridine-6-carboxylic acid;ethane;methoxymethylbenzene is sourced from PubChem (CID 166471814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).