2-[[3-(6-amino-2,5-difluoro-3-pyridinyl)-6-tert-butylsulfonylimidazo[1,2-a]pyridin-7-yl]oxymethyl]butan-1-ol

C21H26F2N4O4S — CID 178094082

IUPAC2-[[3-(6-amino-2,5-difluoro-3-pyridinyl)-6-tert-butylsulfonylimidazo[1,2-a]pyridin-7-yl]oxymethyl]butan-1-ol
SMILESCCC(CO)COc1cc2ncc(-c3cc(F)c(N)nc3F)n2cc1S(=O)(=O)C(C)(C)C
InChIInChI=1S/C21H26F2N4O4S/c1-5-12(10-28)11-31-16-7-18-25-8-15(13-6-14(22)20(24)26-19(13)23)27(18)9-17(16)32(29,30)21(2,3)4/h6-9,12,28H,5,10-11H2,1-4H3,(H2,24,26)
InChIKeyQBYMKHCDNDHKRK-UHFFFAOYSA-N
MW468.53 g/mol
LogP3.23
Rot. Bonds7

About 2-[[3-(6-amino-2,5-difluoro-3-pyridinyl)-6-tert-butylsulfonylimidazo[1,2-a]pyridin-7-yl]oxymethyl]butan-1-ol

2-[[3-(6-amino-2,5-difluoro-3-pyridinyl)-6-tert-butylsulfonylimidazo[1,2-a]pyridin-7-yl]oxymethyl]butan-1-ol (PubChem CID 178094082) has the molecular formula C21H26F2N4O4S and a molecular weight of 468.53 g/mol. Its IUPAC name is 2-[[3-(6-amino-2,5-difluoro-3-pyridinyl)-6-tert-butylsulfonylimidazo[1,2-a]pyridin-7-yl]oxymethyl]butan-1-ol.

Molecular Properties

Compound Name2-[[3-(6-amino-2,5-difluoro-3-pyridinyl)-6-tert-butylsulfonylimidazo[1,2-a]pyridin-7-yl]oxymethyl]butan-1-ol
PubChem CID178094082
Molecular FormulaC21H26F2N4O4S
Molecular Weight468.53 g/mol
Exact Mass468.16
IUPAC Name2-[[3-(6-amino-2,5-difluoro-3-pyridinyl)-6-tert-butylsulfonylimidazo[1,2-a]pyridin-7-yl]oxymethyl]butan-1-ol
SMILESCCC(CO)COc1cc2ncc(-c3cc(F)c(N)nc3F)n2cc1S(=O)(=O)C(C)(C)C
InChIInChI=1S/C21H26F2N4O4S/c1-5-12(10-28)11-31-16-7-18-25-8-15(13-6-14(22)20(24)26-19(13)23)27(18)9-17(16)32(29,30)21(2,3)4/h6-9,12,28H,5,10-11H2,1-4H3,(H2,24,26)
InChIKeyQBYMKHCDNDHKRK-UHFFFAOYSA-N
XLogP3.23
TPSA119.81 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.53
LogP ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

[3-(6-amino-2,5-difluoro-3-pyridinyl)-6-tert-butylsulfonylimidazo[1,2-a]pyridin-7-yl]methanol
CID 172631976
(2S)-1-[3-(6-amino-2,5-difluoro-3-pyridinyl)-5-tert-butylsulfonylpyrazolo[1,5-a]pyridin-6-yl]oxypropan-2-ol
CID 178094064
3-(6-tert-butylsulfonyl-7-methoxyimidazo[1,2-a]pyridin-3-yl)-2-fluoroaniline
CID 172631556
2-[4-(6-tert-butylsulfonyl-7-methoxyimidazo[1,2-a]pyridin-3-yl)-6-fluoro-7-methoxyindazol-1-yl]ethanol
CID 172631901
N-[5-[6-tert-butylsulfonyl-7-(2-methylpropoxy)imidazo[1,2-a]pyridin-3-yl]-3-fluoro-2-methoxyphenyl]ethanesulfonamide
CID 178094039
4-[5-(6-tert-butylsulfonyl-7-methoxyimidazo[1,2-a]pyridin-3-yl)-6-fluoro-2-pyridinyl]morpholine
CID 170616500
5-[7-[(Z)-1-amino-3-methyliminoprop-1-en-2-yl]-6-tert-butylsulfanylimidazo[1,2-a]pyridin-3-yl]-3,6-difluoropyridin-2-amine
CID 172632085
3-(6-tert-butylsulfonyl-7-methoxyimidazo[1,2-a]pyridin-3-yl)-1-methylpyrazol-5-amine
CID 172631077
2-[3-(6-amino-3,5-difluoro-2-pyridinyl)-7-methoxyimidazo[1,2-a]pyridin-6-yl]propan-2-ol
CID 169129444
N-[5-[6-tert-butylsulfonyl-7-[(2R)-2-hydroxypropoxy]imidazo[1,2-a]pyridin-3-yl]-3-fluoro-2-methoxyphenyl]-1-methylpyrazole-4-sulfonamide
CID 178093964
2-(6-tert-butylsulfonyl-3-pyrazolo[1,5-a]pyridin-6-ylimidazo[1,2-a]pyridin-7-yl)oxyethanol
CID 172632070
6-tert-butylsulfonyl-3-(3-fluoro-4-methoxy-5-pyrimidin-5-ylphenyl)-7-methoxyimidazo[1,2-a]pyridine
CID 172631531

Frequently Asked Questions

What is the IUPAC name of 2-[[3-(6-amino-2,5-difluoro-3-pyridinyl)-6-tert-butylsulfonylimidazo[1,2-a]pyridin-7-yl]oxymethyl]butan-1-ol?
The IUPAC name of 2-[[3-(6-amino-2,5-difluoro-3-pyridinyl)-6-tert-butylsulfonylimidazo[1,2-a]pyridin-7-yl]oxymethyl]butan-1-ol (CID 178094082) is 2-[[3-(6-amino-2,5-difluoro-3-pyridinyl)-6-tert-butylsulfonylimidazo[1,2-a]pyridin-7-yl]oxymethyl]butan-1-ol.
What is the SMILES notation for 2-[[3-(6-amino-2,5-difluoro-3-pyridinyl)-6-tert-butylsulfonylimidazo[1,2-a]pyridin-7-yl]oxymethyl]butan-1-ol?
The canonical SMILES for 2-[[3-(6-amino-2,5-difluoro-3-pyridinyl)-6-tert-butylsulfonylimidazo[1,2-a]pyridin-7-yl]oxymethyl]butan-1-ol is CCC(CO)COc1cc2ncc(-c3cc(F)c(N)nc3F)n2cc1S(=O)(=O)C(C)(C)C.
What is the InChIKey of 2-[[3-(6-amino-2,5-difluoro-3-pyridinyl)-6-tert-butylsulfonylimidazo[1,2-a]pyridin-7-yl]oxymethyl]butan-1-ol?
The InChIKey is QBYMKHCDNDHKRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26F2N4O4S/c1-5-12(10-28)11-31-16-7-18-25-8-15(13-6-14(22)20(24)26-19(13)23)27(18)9-17(16)32(29,30)21(2,3)4/h6-9,12,28H,5,10-11H2,1-4H3,(H2,24,26).
What are the key properties of 2-[[3-(6-amino-2,5-difluoro-3-pyridinyl)-6-tert-butylsulfonylimidazo[1,2-a]pyridin-7-yl]oxymethyl]butan-1-ol?
2-[[3-(6-amino-2,5-difluoro-3-pyridinyl)-6-tert-butylsulfonylimidazo[1,2-a]pyridin-7-yl]oxymethyl]butan-1-ol has a molecular weight of 468.53 g/mol, XLogP of 3.23, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-(6-amino-2,5-difluoro-3-pyridinyl)-6-tert-butylsulfonylimidazo[1,2-a]pyridin-7-yl]oxymethyl]butan-1-ol is sourced from PubChem (CID 178094082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).