1-[4-[6-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)-1,2-benzothiazol-3-yl]piperidin-1-yl]ethanone

C20H20N6OS — CID 122419063

IUPAC1-[4-[6-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)-1,2-benzothiazol-3-yl]piperidin-1-yl]ethanone
SMILESCC(=O)N1CCC(c2nsc3cc(Nc4n[nH]c5cccnc45)ccc23)CC1
InChIInChI=1S/C20H20N6OS/c1-12(27)26-9-6-13(7-10-26)18-15-5-4-14(11-17(15)28-25-18)22-20-19-16(23-24-20)3-2-8-21-19/h2-5,8,11,13H,6-7,9-10H2,1H3,(H2,22,23,24)
InChIKeyDUMICWTUDQOWDB-UHFFFAOYSA-N
MW392.49 g/mol
LogP4.04
Rot. Bonds3

About 1-[4-[6-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)-1,2-benzothiazol-3-yl]piperidin-1-yl]ethanone

1-[4-[6-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)-1,2-benzothiazol-3-yl]piperidin-1-yl]ethanone (PubChem CID 122419063) has the molecular formula C20H20N6OS and a molecular weight of 392.49 g/mol. Its IUPAC name is 1-[4-[6-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)-1,2-benzothiazol-3-yl]piperidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-[6-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)-1,2-benzothiazol-3-yl]piperidin-1-yl]ethanone
PubChem CID122419063
Molecular FormulaC20H20N6OS
Molecular Weight392.49 g/mol
Exact Mass392.14
IUPAC Name1-[4-[6-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)-1,2-benzothiazol-3-yl]piperidin-1-yl]ethanone
SMILESCC(=O)N1CCC(c2nsc3cc(Nc4n[nH]c5cccnc45)ccc23)CC1
InChIInChI=1S/C20H20N6OS/c1-12(27)26-9-6-13(7-10-26)18-15-5-4-14(11-17(15)28-25-18)22-20-19-16(23-24-20)3-2-8-21-19/h2-5,8,11,13H,6-7,9-10H2,1H3,(H2,22,23,24)
InChIKeyDUMICWTUDQOWDB-UHFFFAOYSA-N
XLogP4.04
TPSA86.80 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.49
LogP ≤ 54.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[6-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)-1,2-benzothiazol-3-yl]piperidin-1-yl]ethanone?
The IUPAC name of 1-[4-[6-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)-1,2-benzothiazol-3-yl]piperidin-1-yl]ethanone (CID 122419063) is 1-[4-[6-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)-1,2-benzothiazol-3-yl]piperidin-1-yl]ethanone.
What is the SMILES notation for 1-[4-[6-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)-1,2-benzothiazol-3-yl]piperidin-1-yl]ethanone?
The canonical SMILES for 1-[4-[6-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)-1,2-benzothiazol-3-yl]piperidin-1-yl]ethanone is CC(=O)N1CCC(c2nsc3cc(Nc4n[nH]c5cccnc45)ccc23)CC1.
What is the InChIKey of 1-[4-[6-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)-1,2-benzothiazol-3-yl]piperidin-1-yl]ethanone?
The InChIKey is DUMICWTUDQOWDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N6OS/c1-12(27)26-9-6-13(7-10-26)18-15-5-4-14(11-17(15)28-25-18)22-20-19-16(23-24-20)3-2-8-21-19/h2-5,8,11,13H,6-7,9-10H2,1H3,(H2,22,23,24).
What are the key properties of 1-[4-[6-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)-1,2-benzothiazol-3-yl]piperidin-1-yl]ethanone?
1-[4-[6-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)-1,2-benzothiazol-3-yl]piperidin-1-yl]ethanone has a molecular weight of 392.49 g/mol, XLogP of 4.04, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[6-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)-1,2-benzothiazol-3-yl]piperidin-1-yl]ethanone is sourced from PubChem (CID 122419063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).