(2S)-1-[3-(6-amino-2,5-difluoro-3-pyridinyl)-5-tert-butylsulfonylpyrazolo[1,5-a]pyridin-6-yl]oxypropan-2-ol

C19H22F2N4O4S — CID 178094064

IUPAC(2S)-1-[3-(6-amino-2,5-difluoro-3-pyridinyl)-5-tert-butylsulfonylpyrazolo[1,5-a]pyridin-6-yl]oxypropan-2-ol
SMILESC[C@H](O)COc1cn2ncc(-c3cc(F)c(N)nc3F)c2cc1S(=O)(=O)C(C)(C)C
InChIInChI=1S/C19H22F2N4O4S/c1-10(26)9-29-15-8-25-14(6-16(15)30(27,28)19(2,3)4)12(7-23-25)11-5-13(20)18(22)24-17(11)21/h5-8,10,26H,9H2,1-4H3,(H2,22,24)/t10-/m0/s1
InChIKeyZMXPLNXRUGOQDF-JTQLQIEISA-N
MW440.47 g/mol
LogP2.59
Rot. Bonds5

About (2S)-1-[3-(6-amino-2,5-difluoro-3-pyridinyl)-5-tert-butylsulfonylpyrazolo[1,5-a]pyridin-6-yl]oxypropan-2-ol

(2S)-1-[3-(6-amino-2,5-difluoro-3-pyridinyl)-5-tert-butylsulfonylpyrazolo[1,5-a]pyridin-6-yl]oxypropan-2-ol (PubChem CID 178094064) has the molecular formula C19H22F2N4O4S and a molecular weight of 440.47 g/mol. Its IUPAC name is (2S)-1-[3-(6-amino-2,5-difluoro-3-pyridinyl)-5-tert-butylsulfonylpyrazolo[1,5-a]pyridin-6-yl]oxypropan-2-ol.

Molecular Properties

Compound Name(2S)-1-[3-(6-amino-2,5-difluoro-3-pyridinyl)-5-tert-butylsulfonylpyrazolo[1,5-a]pyridin-6-yl]oxypropan-2-ol
PubChem CID178094064
Molecular FormulaC19H22F2N4O4S
Molecular Weight440.47 g/mol
Exact Mass440.13
IUPAC Name(2S)-1-[3-(6-amino-2,5-difluoro-3-pyridinyl)-5-tert-butylsulfonylpyrazolo[1,5-a]pyridin-6-yl]oxypropan-2-ol
SMILESC[C@H](O)COc1cn2ncc(-c3cc(F)c(N)nc3F)c2cc1S(=O)(=O)C(C)(C)C
InChIInChI=1S/C19H22F2N4O4S/c1-10(26)9-29-15-8-25-14(6-16(15)30(27,28)19(2,3)4)12(7-23-25)11-5-13(20)18(22)24-17(11)21/h5-8,10,26H,9H2,1-4H3,(H2,22,24)/t10-/m0/s1
InChIKeyZMXPLNXRUGOQDF-JTQLQIEISA-N
XLogP2.59
TPSA119.81 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.47
LogP ≤ 52.59
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

2-[3-(3-amino-5-fluoro-4-methoxyphenyl)-5-tert-butylsulfonylpyrazolo[1,5-a]pyridin-6-yl]oxyethanol
CID 172632050
2-[[3-(6-amino-2,5-difluoro-3-pyridinyl)-6-tert-butylsulfonylimidazo[1,2-a]pyridin-7-yl]oxymethyl]butan-1-ol
CID 178094082
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
3,6-difluoro-5-methylpyridin-2-amine
CID 135201533
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
5-[[(1R)-1-[5-fluoro-2-[(2R)-2-hydroxypropoxy]phenyl]ethyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid
CID 152501893
(2S)-1-[6-tert-butylsulfonyl-3-[3-[[ethylidene-[(2Z)-2-(methylhydrazinylidene)ethyl]-λ4-sulfanyl]amino]-5-fluoro-4-methoxyphenyl]imidazo[1,2-a]pyridin-7-yl]oxypropan-2-ol
CID 178094073
6-(2-hydroxypropoxy)pyrazolo[1,5-a]pyridine-3-carboxylic acid
CID 130229153
(2S)-1-(5-bromopyrazolo[1,5-a]pyridin-6-yl)oxypropan-2-ol
CID 172631825
(2S)-1-[2-fluoro-4-[5-methyl-2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]phenoxy]propan-2-ol
CID 69092707
N-[5-(5-tert-butylsulfonylpyrazolo[1,5-a]pyridin-3-yl)-2-methoxyphenyl]methanesulfonamide
CID 178185144
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 (2S)-1-[3-(6-amino-2,5-difluoro-3-pyridinyl)-5-tert-butylsulfonylpyrazolo[1,5-a]pyridin-6-yl]oxypropan-2-ol?
The IUPAC name of (2S)-1-[3-(6-amino-2,5-difluoro-3-pyridinyl)-5-tert-butylsulfonylpyrazolo[1,5-a]pyridin-6-yl]oxypropan-2-ol (CID 178094064) is (2S)-1-[3-(6-amino-2,5-difluoro-3-pyridinyl)-5-tert-butylsulfonylpyrazolo[1,5-a]pyridin-6-yl]oxypropan-2-ol.
What is the SMILES notation for (2S)-1-[3-(6-amino-2,5-difluoro-3-pyridinyl)-5-tert-butylsulfonylpyrazolo[1,5-a]pyridin-6-yl]oxypropan-2-ol?
The canonical SMILES for (2S)-1-[3-(6-amino-2,5-difluoro-3-pyridinyl)-5-tert-butylsulfonylpyrazolo[1,5-a]pyridin-6-yl]oxypropan-2-ol is C[C@H](O)COc1cn2ncc(-c3cc(F)c(N)nc3F)c2cc1S(=O)(=O)C(C)(C)C.
What is the InChIKey of (2S)-1-[3-(6-amino-2,5-difluoro-3-pyridinyl)-5-tert-butylsulfonylpyrazolo[1,5-a]pyridin-6-yl]oxypropan-2-ol?
The InChIKey is ZMXPLNXRUGOQDF-JTQLQIEISA-N. The full InChI is InChI=1S/C19H22F2N4O4S/c1-10(26)9-29-15-8-25-14(6-16(15)30(27,28)19(2,3)4)12(7-23-25)11-5-13(20)18(22)24-17(11)21/h5-8,10,26H,9H2,1-4H3,(H2,22,24)/t10-/m0/s1.
What are the key properties of (2S)-1-[3-(6-amino-2,5-difluoro-3-pyridinyl)-5-tert-butylsulfonylpyrazolo[1,5-a]pyridin-6-yl]oxypropan-2-ol?
(2S)-1-[3-(6-amino-2,5-difluoro-3-pyridinyl)-5-tert-butylsulfonylpyrazolo[1,5-a]pyridin-6-yl]oxypropan-2-ol has a molecular weight of 440.47 g/mol, XLogP of 2.59, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[3-(6-amino-2,5-difluoro-3-pyridinyl)-5-tert-butylsulfonylpyrazolo[1,5-a]pyridin-6-yl]oxypropan-2-ol is sourced from PubChem (CID 178094064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).