2-[3-(3-amino-5-fluoro-4-methoxyphenyl)-5-tert-butylsulfonylpyrazolo[1,5-a]pyridin-6-yl]oxyethanol

C20H24FN3O5S — CID 172632050

IUPAC2-[3-(3-amino-5-fluoro-4-methoxyphenyl)-5-tert-butylsulfonylpyrazolo[1,5-a]pyridin-6-yl]oxyethanol
SMILESCOc1c(N)cc(-c2cnn3cc(OCCO)c(S(=O)(=O)C(C)(C)C)cc23)cc1F
InChIInChI=1S/C20H24FN3O5S/c1-20(2,3)30(26,27)18-9-16-13(10-23-24(16)11-17(18)29-6-5-25)12-7-14(21)19(28-4)15(22)8-12/h7-11,25H,5-6,22H2,1-4H3
InChIKeyOWVVCIFZKBROAN-UHFFFAOYSA-N
MW437.49 g/mol
LogP2.67
Rot. Bonds6

About 2-[3-(3-amino-5-fluoro-4-methoxyphenyl)-5-tert-butylsulfonylpyrazolo[1,5-a]pyridin-6-yl]oxyethanol

2-[3-(3-amino-5-fluoro-4-methoxyphenyl)-5-tert-butylsulfonylpyrazolo[1,5-a]pyridin-6-yl]oxyethanol (PubChem CID 172632050) has the molecular formula C20H24FN3O5S and a molecular weight of 437.49 g/mol. Its IUPAC name is 2-[3-(3-amino-5-fluoro-4-methoxyphenyl)-5-tert-butylsulfonylpyrazolo[1,5-a]pyridin-6-yl]oxyethanol.

Molecular Properties

Compound Name2-[3-(3-amino-5-fluoro-4-methoxyphenyl)-5-tert-butylsulfonylpyrazolo[1,5-a]pyridin-6-yl]oxyethanol
PubChem CID172632050
Molecular FormulaC20H24FN3O5S
Molecular Weight437.49 g/mol
Exact Mass437.14
IUPAC Name2-[3-(3-amino-5-fluoro-4-methoxyphenyl)-5-tert-butylsulfonylpyrazolo[1,5-a]pyridin-6-yl]oxyethanol
SMILESCOc1c(N)cc(-c2cnn3cc(OCCO)c(S(=O)(=O)C(C)(C)C)cc23)cc1F
InChIInChI=1S/C20H24FN3O5S/c1-20(2,3)30(26,27)18-9-16-13(10-23-24(16)11-17(18)29-6-5-25)12-7-14(21)19(28-4)15(22)8-12/h7-11,25H,5-6,22H2,1-4H3
InChIKeyOWVVCIFZKBROAN-UHFFFAOYSA-N
XLogP2.67
TPSA116.15 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.49
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

(2S)-1-[3-(6-amino-2,5-difluoro-3-pyridinyl)-5-tert-butylsulfonylpyrazolo[1,5-a]pyridin-6-yl]oxypropan-2-ol
CID 178094064
2-[4-(6-tert-butylsulfonyl-7-methoxyimidazo[1,2-a]pyridin-3-yl)-6-fluoro-7-methoxyindazol-1-yl]ethanol
CID 172631901
6-tert-butylsulfonyl-3-(3-fluoro-4-methoxy-5-pyrimidin-5-ylphenyl)-7-methoxyimidazo[1,2-a]pyridine
CID 172631531
N-[5-(6-tert-butylsulfonyl-7-methoxyquinazolin-4-yl)-3-fluoro-2-methoxyphenyl]-1-methylpyrazole-4-sulfonamide
CID 172631227
N-[5-(5-tert-butylsulfonylpyrazolo[1,5-a]pyridin-3-yl)-2-methoxyphenyl]methanesulfonamide
CID 178185144
3-amino-N-cyclopropyl-5-fluoro-N-(2-hydroxyethyl)-4-methoxybenzenesulfonamide
CID 114625181
3-(6-tert-butylsulfonyl-7-methoxyimidazo[1,2-a]pyridin-3-yl)-2-fluoroaniline
CID 172631556
2-(6-tert-butylsulfonyl-3-pyrazolo[1,5-a]pyridin-6-ylimidazo[1,2-a]pyridin-7-yl)oxyethanol
CID 172632070
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
3-amino-5-fluoro-N-(4-hydroxybutan-2-yl)-4-methoxybenzenesulfonamide
CID 114626060
3-[3-[1-(azetidin-3-yl)pyrazol-4-yl]-5-fluoro-4-methoxyphenyl]-6-tert-butylsulfonyl-7-methoxyimidazo[1,2-a]pyridine
CID 172631546
N-[5-[6-tert-butylsulfonyl-7-(2-methylpropoxy)imidazo[1,2-a]pyridin-3-yl]-3-fluoro-2-methoxyphenyl]ethanesulfonamide
CID 178094039

Frequently Asked Questions

What is the IUPAC name of 2-[3-(3-amino-5-fluoro-4-methoxyphenyl)-5-tert-butylsulfonylpyrazolo[1,5-a]pyridin-6-yl]oxyethanol?
The IUPAC name of 2-[3-(3-amino-5-fluoro-4-methoxyphenyl)-5-tert-butylsulfonylpyrazolo[1,5-a]pyridin-6-yl]oxyethanol (CID 172632050) is 2-[3-(3-amino-5-fluoro-4-methoxyphenyl)-5-tert-butylsulfonylpyrazolo[1,5-a]pyridin-6-yl]oxyethanol.
What is the SMILES notation for 2-[3-(3-amino-5-fluoro-4-methoxyphenyl)-5-tert-butylsulfonylpyrazolo[1,5-a]pyridin-6-yl]oxyethanol?
The canonical SMILES for 2-[3-(3-amino-5-fluoro-4-methoxyphenyl)-5-tert-butylsulfonylpyrazolo[1,5-a]pyridin-6-yl]oxyethanol is COc1c(N)cc(-c2cnn3cc(OCCO)c(S(=O)(=O)C(C)(C)C)cc23)cc1F.
What is the InChIKey of 2-[3-(3-amino-5-fluoro-4-methoxyphenyl)-5-tert-butylsulfonylpyrazolo[1,5-a]pyridin-6-yl]oxyethanol?
The InChIKey is OWVVCIFZKBROAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24FN3O5S/c1-20(2,3)30(26,27)18-9-16-13(10-23-24(16)11-17(18)29-6-5-25)12-7-14(21)19(28-4)15(22)8-12/h7-11,25H,5-6,22H2,1-4H3.
What are the key properties of 2-[3-(3-amino-5-fluoro-4-methoxyphenyl)-5-tert-butylsulfonylpyrazolo[1,5-a]pyridin-6-yl]oxyethanol?
2-[3-(3-amino-5-fluoro-4-methoxyphenyl)-5-tert-butylsulfonylpyrazolo[1,5-a]pyridin-6-yl]oxyethanol has a molecular weight of 437.49 g/mol, XLogP of 2.67, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(3-amino-5-fluoro-4-methoxyphenyl)-5-tert-butylsulfonylpyrazolo[1,5-a]pyridin-6-yl]oxyethanol is sourced from PubChem (CID 172632050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).