1-(1,1-dioxo-1,4-thiazinan-4-yl)-2-[6-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)-1,2-benzoxazol-3-yl]ethanone

C19H18N6O4S — CID 134190247

IUPAC1-(1,1-dioxo-1,4-thiazinan-4-yl)-2-[6-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)-1,2-benzoxazol-3-yl]ethanone
SMILESO=C(Cc1noc2cc(Nc3n[nH]c4cccnc34)ccc12)N1CCS(=O)(=O)CC1
InChIInChI=1S/C19H18N6O4S/c26-17(25-6-8-30(27,28)9-7-25)11-15-13-4-3-12(10-16(13)29-24-15)21-19-18-14(22-23-19)2-1-5-20-18/h1-5,10H,6-9,11H2,(H2,21,22,23)
InChIKeyTXYUNWIPDHTVDK-UHFFFAOYSA-N
MW426.46 g/mol
LogP1.64
Rot. Bonds4

About 1-(1,1-dioxo-1,4-thiazinan-4-yl)-2-[6-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)-1,2-benzoxazol-3-yl]ethanone

1-(1,1-dioxo-1,4-thiazinan-4-yl)-2-[6-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)-1,2-benzoxazol-3-yl]ethanone (PubChem CID 134190247) has the molecular formula C19H18N6O4S and a molecular weight of 426.46 g/mol. Its IUPAC name is 1-(1,1-dioxo-1,4-thiazinan-4-yl)-2-[6-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)-1,2-benzoxazol-3-yl]ethanone.

Molecular Properties

Compound Name1-(1,1-dioxo-1,4-thiazinan-4-yl)-2-[6-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)-1,2-benzoxazol-3-yl]ethanone
PubChem CID134190247
Molecular FormulaC19H18N6O4S
Molecular Weight426.46 g/mol
Exact Mass426.11
IUPAC Name1-(1,1-dioxo-1,4-thiazinan-4-yl)-2-[6-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)-1,2-benzoxazol-3-yl]ethanone
SMILESO=C(Cc1noc2cc(Nc3n[nH]c4cccnc34)ccc12)N1CCS(=O)(=O)CC1
InChIInChI=1S/C19H18N6O4S/c26-17(25-6-8-30(27,28)9-7-25)11-15-13-4-3-12(10-16(13)29-24-15)21-19-18-14(22-23-19)2-1-5-20-18/h1-5,10H,6-9,11H2,(H2,21,22,23)
InChIKeyTXYUNWIPDHTVDK-UHFFFAOYSA-N
XLogP1.64
TPSA134.08 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.46
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 1-(1,1-dioxo-1,4-thiazinan-4-yl)-2-[6-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)-1,2-benzoxazol-3-yl]ethanone with MolForge

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Related Compounds

piperidin-1-yl-[6-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)-1,2-benzoxazol-3-yl]methanone
CID 134190016
(1,1-dioxo-1,4-thiazepan-4-yl)-[6-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)naphthalen-1-yl]methanone
CID 134191641
N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-3-(pyridin-3-yloxymethyl)-1,2-benzoxazol-6-amine
CID 134190254
3-(oxetan-3-yloxy)-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1,2-benzoxazol-6-amine
CID 134190181
3-(oxetan-3-ylmethoxy)-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1,2-benzoxazol-6-amine
CID 134190190
2-(3-fluoro-3-methylcyclobutyl)-1-[6-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)-1,2-benzoxazol-3-yl]ethanone
CID 159340222
3-(cyclohexylmethoxy)-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1,2-benzoxazol-6-amine
CID 134190030
3-[(3-methyloxetan-3-yl)methoxy]-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1,2-benzoxazol-6-amine
CID 134190187
(1-methylidene-1-oxo-1,4-thiazepan-4-yl)-[6-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)naphthalen-1-yl]methanone
CID 158866681
3-(oxan-2-ylmethoxy)-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1,2-benzoxazol-6-amine
CID 134190177
2,2-dimethyl-N-[2,2,2-trifluoro-1-[6-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)-1,2-benzoxazol-3-yl]ethyl]propanamide
CID 134197670
3-(2,2-dimethylpropyl)-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-[1,2]oxazolo[4,5-b]pyridin-6-amine
CID 134190123

Frequently Asked Questions

What is the IUPAC name of 1-(1,1-dioxo-1,4-thiazinan-4-yl)-2-[6-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)-1,2-benzoxazol-3-yl]ethanone?
The IUPAC name of 1-(1,1-dioxo-1,4-thiazinan-4-yl)-2-[6-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)-1,2-benzoxazol-3-yl]ethanone (CID 134190247) is 1-(1,1-dioxo-1,4-thiazinan-4-yl)-2-[6-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)-1,2-benzoxazol-3-yl]ethanone.
What is the SMILES notation for 1-(1,1-dioxo-1,4-thiazinan-4-yl)-2-[6-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)-1,2-benzoxazol-3-yl]ethanone?
The canonical SMILES for 1-(1,1-dioxo-1,4-thiazinan-4-yl)-2-[6-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)-1,2-benzoxazol-3-yl]ethanone is O=C(Cc1noc2cc(Nc3n[nH]c4cccnc34)ccc12)N1CCS(=O)(=O)CC1.
What is the InChIKey of 1-(1,1-dioxo-1,4-thiazinan-4-yl)-2-[6-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)-1,2-benzoxazol-3-yl]ethanone?
The InChIKey is TXYUNWIPDHTVDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N6O4S/c26-17(25-6-8-30(27,28)9-7-25)11-15-13-4-3-12(10-16(13)29-24-15)21-19-18-14(22-23-19)2-1-5-20-18/h1-5,10H,6-9,11H2,(H2,21,22,23).
What are the key properties of 1-(1,1-dioxo-1,4-thiazinan-4-yl)-2-[6-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)-1,2-benzoxazol-3-yl]ethanone?
1-(1,1-dioxo-1,4-thiazinan-4-yl)-2-[6-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)-1,2-benzoxazol-3-yl]ethanone has a molecular weight of 426.46 g/mol, XLogP of 1.64, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,1-dioxo-1,4-thiazinan-4-yl)-2-[6-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)-1,2-benzoxazol-3-yl]ethanone is sourced from PubChem (CID 134190247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).