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

C17H18F2N4O3S — CID 172631976

IUPAC[3-(6-amino-2,5-difluoro-3-pyridinyl)-6-tert-butylsulfonylimidazo[1,2-a]pyridin-7-yl]methanol
SMILESCC(C)(C)S(=O)(=O)c1cn2c(-c3cc(F)c(N)nc3F)cnc2cc1CO
InChIInChI=1S/C17H18F2N4O3S/c1-17(2,3)27(25,26)13-7-23-12(6-21-14(23)4-9(13)8-24)10-5-11(18)16(20)22-15(10)19/h4-7,24H,8H2,1-3H3,(H2,20,22)
InChIKeyQWVPAOJOSDOWTL-UHFFFAOYSA-N
MW396.42 g/mol
LogP2.32
Rot. Bonds3

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

[3-(6-amino-2,5-difluoro-3-pyridinyl)-6-tert-butylsulfonylimidazo[1,2-a]pyridin-7-yl]methanol (PubChem CID 172631976) has the molecular formula C17H18F2N4O3S and a molecular weight of 396.42 g/mol. Its IUPAC name is [3-(6-amino-2,5-difluoro-3-pyridinyl)-6-tert-butylsulfonylimidazo[1,2-a]pyridin-7-yl]methanol.

Molecular Properties

Compound Name[3-(6-amino-2,5-difluoro-3-pyridinyl)-6-tert-butylsulfonylimidazo[1,2-a]pyridin-7-yl]methanol
PubChem CID172631976
Molecular FormulaC17H18F2N4O3S
Molecular Weight396.42 g/mol
Exact Mass396.11
IUPAC Name[3-(6-amino-2,5-difluoro-3-pyridinyl)-6-tert-butylsulfonylimidazo[1,2-a]pyridin-7-yl]methanol
SMILESCC(C)(C)S(=O)(=O)c1cn2c(-c3cc(F)c(N)nc3F)cnc2cc1CO
InChIInChI=1S/C17H18F2N4O3S/c1-17(2,3)27(25,26)13-7-23-12(6-21-14(23)4-9(13)8-24)10-5-11(18)16(20)22-15(10)19/h4-7,24H,8H2,1-3H3,(H2,20,22)
InChIKeyQWVPAOJOSDOWTL-UHFFFAOYSA-N
XLogP2.32
TPSA110.58 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.42
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

2-[[3-(6-amino-2,5-difluoro-3-pyridinyl)-6-tert-butylsulfonylimidazo[1,2-a]pyridin-7-yl]oxymethyl]butan-1-ol
CID 178094082
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
2-[4-(6-tert-butylsulfonyl-7-methoxyimidazo[1,2-a]pyridin-3-yl)-6-fluoro-7-methoxyindazol-1-yl]ethanol
CID 172631901
3-(6-tert-butylsulfonyl-7-methoxyimidazo[1,2-a]pyridin-3-yl)-2-fluoroaniline
CID 172631556
(2S)-1-[3-(6-amino-2,5-difluoro-3-pyridinyl)-5-tert-butylsulfonylpyrazolo[1,5-a]pyridin-6-yl]oxypropan-2-ol
CID 178094064
4-[5-(6-tert-butylsulfonyl-7-methoxyimidazo[1,2-a]pyridin-3-yl)-6-fluoro-2-pyridinyl]morpholine
CID 170616500
2-[3-(6-amino-3,5-difluoro-2-pyridinyl)-7-methoxyimidazo[1,2-a]pyridin-6-yl]propan-2-ol
CID 169129444
6-tert-butylsulfonyl-3-(3-fluoro-4-methoxy-5-pyrimidin-5-ylphenyl)-7-methoxyimidazo[1,2-a]pyridine
CID 172631531
3-(6-tert-butylsulfonyl-7-methoxyimidazo[1,2-a]pyridin-3-yl)-1-methylpyrazol-5-amine
CID 172631077
3-(6-amino-3,5-difluoro-2-pyridinyl)-N-(2-hydroxy-2-methylpropyl)imidazo[1,2-a]pyridine-7-carboxamide
CID 169129919
N-[5-(6-tert-butylsulfonyl-7-methoxyimidazo[1,2-a]pyridin-3-yl)-3-fluoro-2-methylphenyl]methanesulfonamide
CID 178185134
2-(6-tert-butylsulfonyl-3-pyrazolo[1,5-a]pyridin-6-ylimidazo[1,2-a]pyridin-7-yl)oxyethanol
CID 172632070

Frequently Asked Questions

What is the IUPAC name of [3-(6-amino-2,5-difluoro-3-pyridinyl)-6-tert-butylsulfonylimidazo[1,2-a]pyridin-7-yl]methanol?
The IUPAC name of [3-(6-amino-2,5-difluoro-3-pyridinyl)-6-tert-butylsulfonylimidazo[1,2-a]pyridin-7-yl]methanol (CID 172631976) is [3-(6-amino-2,5-difluoro-3-pyridinyl)-6-tert-butylsulfonylimidazo[1,2-a]pyridin-7-yl]methanol.
What is the SMILES notation for [3-(6-amino-2,5-difluoro-3-pyridinyl)-6-tert-butylsulfonylimidazo[1,2-a]pyridin-7-yl]methanol?
The canonical SMILES for [3-(6-amino-2,5-difluoro-3-pyridinyl)-6-tert-butylsulfonylimidazo[1,2-a]pyridin-7-yl]methanol is CC(C)(C)S(=O)(=O)c1cn2c(-c3cc(F)c(N)nc3F)cnc2cc1CO.
What is the InChIKey of [3-(6-amino-2,5-difluoro-3-pyridinyl)-6-tert-butylsulfonylimidazo[1,2-a]pyridin-7-yl]methanol?
The InChIKey is QWVPAOJOSDOWTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18F2N4O3S/c1-17(2,3)27(25,26)13-7-23-12(6-21-14(23)4-9(13)8-24)10-5-11(18)16(20)22-15(10)19/h4-7,24H,8H2,1-3H3,(H2,20,22).
What are the key properties of [3-(6-amino-2,5-difluoro-3-pyridinyl)-6-tert-butylsulfonylimidazo[1,2-a]pyridin-7-yl]methanol?
[3-(6-amino-2,5-difluoro-3-pyridinyl)-6-tert-butylsulfonylimidazo[1,2-a]pyridin-7-yl]methanol has a molecular weight of 396.42 g/mol, XLogP of 2.32, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(6-amino-2,5-difluoro-3-pyridinyl)-6-tert-butylsulfonylimidazo[1,2-a]pyridin-7-yl]methanol is sourced from PubChem (CID 172631976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).