6-tert-butylsulfonyl-7-[(2R)-2-phenylmethoxypropoxy]imidazo[1,2-a]pyridine

C21H26N2O4S — CID 172631800

IUPAC6-tert-butylsulfonyl-7-[(2R)-2-phenylmethoxypropoxy]imidazo[1,2-a]pyridine
SMILESC[C@H](COc1cc2nccn2cc1S(=O)(=O)C(C)(C)C)OCc1ccccc1
InChIInChI=1S/C21H26N2O4S/c1-16(26-15-17-8-6-5-7-9-17)14-27-18-12-20-22-10-11-23(20)13-19(18)28(24,25)21(2,3)4/h5-13,16H,14-15H2,1-4H3/t16-/m1/s1
InChIKeyQSHPZOXXGQUWJA-MRXNPFEDSA-N
MW402.52 g/mol
LogP3.89
Rot. Bonds7

About 6-tert-butylsulfonyl-7-[(2R)-2-phenylmethoxypropoxy]imidazo[1,2-a]pyridine

6-tert-butylsulfonyl-7-[(2R)-2-phenylmethoxypropoxy]imidazo[1,2-a]pyridine (PubChem CID 172631800) has the molecular formula C21H26N2O4S and a molecular weight of 402.52 g/mol. Its IUPAC name is 6-tert-butylsulfonyl-7-[(2R)-2-phenylmethoxypropoxy]imidazo[1,2-a]pyridine.

Molecular Properties

Compound Name6-tert-butylsulfonyl-7-[(2R)-2-phenylmethoxypropoxy]imidazo[1,2-a]pyridine
PubChem CID172631800
Molecular FormulaC21H26N2O4S
Molecular Weight402.52 g/mol
Exact Mass402.16
IUPAC Name6-tert-butylsulfonyl-7-[(2R)-2-phenylmethoxypropoxy]imidazo[1,2-a]pyridine
SMILESC[C@H](COc1cc2nccn2cc1S(=O)(=O)C(C)(C)C)OCc1ccccc1
InChIInChI=1S/C21H26N2O4S/c1-16(26-15-17-8-6-5-7-9-17)14-27-18-12-20-22-10-11-23(20)13-19(18)28(24,25)21(2,3)4/h5-13,16H,14-15H2,1-4H3/t16-/m1/s1
InChIKeyQSHPZOXXGQUWJA-MRXNPFEDSA-N
XLogP3.89
TPSA69.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.52
LogP ≤ 53.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

7-[(2S)-1-phenylmethoxypropan-2-yl]oxyimidazo[1,2-a]pyridine-6-sulfinate
CID 172632025
2-bromo-4-(2-phenylmethoxypropoxy)benzaldehyde
CID 87530220
2-[2-[2-(2-phenylmethoxypropoxy)propoxy]propoxy]propan-1-ol
CID 139744930
(4S)-4-phenylmethoxypentan-2-one
CID 13214355
CID 89189472
CID 89189472
butan-2-yloxymethylbenzene;ethane
CID 161043537
[(2S)-2-phenylmethoxypropyl] 2-bromoacetate
CID 131871221
[(2S)-3,3-dimethylbutan-2-yl]oxymethylbenzene;ethane
CID 143788890
4,4-diazidopentan-2-yloxymethylbenzene
CID 174410204
1-butoxypropan-2-yloxymethylbenzene
CID 12963722
2-[(2S)-2-phenylmethoxypropoxy]ethyl 4-methylbenzenesulfonate
CID 165127866
(S)-2-methyl-N-[(2S)-2-phenylmethoxypropylidene]propane-2-sulfinamide
CID 129053217

Frequently Asked Questions

What is the IUPAC name of 6-tert-butylsulfonyl-7-[(2R)-2-phenylmethoxypropoxy]imidazo[1,2-a]pyridine?
The IUPAC name of 6-tert-butylsulfonyl-7-[(2R)-2-phenylmethoxypropoxy]imidazo[1,2-a]pyridine (CID 172631800) is 6-tert-butylsulfonyl-7-[(2R)-2-phenylmethoxypropoxy]imidazo[1,2-a]pyridine.
What is the SMILES notation for 6-tert-butylsulfonyl-7-[(2R)-2-phenylmethoxypropoxy]imidazo[1,2-a]pyridine?
The canonical SMILES for 6-tert-butylsulfonyl-7-[(2R)-2-phenylmethoxypropoxy]imidazo[1,2-a]pyridine is C[C@H](COc1cc2nccn2cc1S(=O)(=O)C(C)(C)C)OCc1ccccc1.
What is the InChIKey of 6-tert-butylsulfonyl-7-[(2R)-2-phenylmethoxypropoxy]imidazo[1,2-a]pyridine?
The InChIKey is QSHPZOXXGQUWJA-MRXNPFEDSA-N. The full InChI is InChI=1S/C21H26N2O4S/c1-16(26-15-17-8-6-5-7-9-17)14-27-18-12-20-22-10-11-23(20)13-19(18)28(24,25)21(2,3)4/h5-13,16H,14-15H2,1-4H3/t16-/m1/s1.
What are the key properties of 6-tert-butylsulfonyl-7-[(2R)-2-phenylmethoxypropoxy]imidazo[1,2-a]pyridine?
6-tert-butylsulfonyl-7-[(2R)-2-phenylmethoxypropoxy]imidazo[1,2-a]pyridine has a molecular weight of 402.52 g/mol, XLogP of 3.89, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-tert-butylsulfonyl-7-[(2R)-2-phenylmethoxypropoxy]imidazo[1,2-a]pyridine is sourced from PubChem (CID 172631800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).