6-(2-methyl-1,3-benzothiazol-6-yl)-2,3-diphenyl-5-(pyridin-2-ylamino)-4H-pyrazolo[1,5-a]pyridin-7-one

C32H23N5OS — CID 147939125

IUPAC6-(2-methyl-1,3-benzothiazol-6-yl)-2,3-diphenyl-5-(pyridin-2-ylamino)-4H-pyrazolo[1,5-a]pyridin-7-one
SMILESCc1nc2ccc(C3=C(Nc4ccccn4)Cc4c(-c5ccccc5)c(-c5ccccc5)nn4C3=O)cc2s1
InChIInChI=1S/C32H23N5OS/c1-20-34-24-16-15-23(18-27(24)39-20)29-25(35-28-14-8-9-17-33-28)19-26-30(21-10-4-2-5-11-21)31(36-37(26)32(29)38)22-12-6-3-7-13-22/h2-18H,19H2,1H3,(H,33,35)
InChIKeyILJQOCJYGZDAJS-UHFFFAOYSA-N
MW525.64 g/mol
LogP7.25
Rot. Bonds5

About 6-(2-methyl-1,3-benzothiazol-6-yl)-2,3-diphenyl-5-(pyridin-2-ylamino)-4H-pyrazolo[1,5-a]pyridin-7-one

6-(2-methyl-1,3-benzothiazol-6-yl)-2,3-diphenyl-5-(pyridin-2-ylamino)-4H-pyrazolo[1,5-a]pyridin-7-one (PubChem CID 147939125) has the molecular formula C32H23N5OS and a molecular weight of 525.64 g/mol. Its IUPAC name is 6-(2-methyl-1,3-benzothiazol-6-yl)-2,3-diphenyl-5-(pyridin-2-ylamino)-4H-pyrazolo[1,5-a]pyridin-7-one.

Molecular Properties

Compound Name6-(2-methyl-1,3-benzothiazol-6-yl)-2,3-diphenyl-5-(pyridin-2-ylamino)-4H-pyrazolo[1,5-a]pyridin-7-one
PubChem CID147939125
Molecular FormulaC32H23N5OS
Molecular Weight525.64 g/mol
Exact Mass525.16
IUPAC Name6-(2-methyl-1,3-benzothiazol-6-yl)-2,3-diphenyl-5-(pyridin-2-ylamino)-4H-pyrazolo[1,5-a]pyridin-7-one
SMILESCc1nc2ccc(C3=C(Nc4ccccn4)Cc4c(-c5ccccc5)c(-c5ccccc5)nn4C3=O)cc2s1
InChIInChI=1S/C32H23N5OS/c1-20-34-24-16-15-23(18-27(24)39-20)29-25(35-28-14-8-9-17-33-28)19-26-30(21-10-4-2-5-11-21)31(36-37(26)32(29)38)22-12-6-3-7-13-22/h2-18H,19H2,1H3,(H,33,35)
InChIKeyILJQOCJYGZDAJS-UHFFFAOYSA-N
XLogP7.25
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500525.64
LogP ≤ 57.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-(2-methyl-1,3-benzothiazol-6-yl)-2,3-diphenyl-5-(pyridin-2-ylamino)-4H-pyrazolo[1,5-a]pyridin-7-one?
The IUPAC name of 6-(2-methyl-1,3-benzothiazol-6-yl)-2,3-diphenyl-5-(pyridin-2-ylamino)-4H-pyrazolo[1,5-a]pyridin-7-one (CID 147939125) is 6-(2-methyl-1,3-benzothiazol-6-yl)-2,3-diphenyl-5-(pyridin-2-ylamino)-4H-pyrazolo[1,5-a]pyridin-7-one.
What is the SMILES notation for 6-(2-methyl-1,3-benzothiazol-6-yl)-2,3-diphenyl-5-(pyridin-2-ylamino)-4H-pyrazolo[1,5-a]pyridin-7-one?
The canonical SMILES for 6-(2-methyl-1,3-benzothiazol-6-yl)-2,3-diphenyl-5-(pyridin-2-ylamino)-4H-pyrazolo[1,5-a]pyridin-7-one is Cc1nc2ccc(C3=C(Nc4ccccn4)Cc4c(-c5ccccc5)c(-c5ccccc5)nn4C3=O)cc2s1.
What is the InChIKey of 6-(2-methyl-1,3-benzothiazol-6-yl)-2,3-diphenyl-5-(pyridin-2-ylamino)-4H-pyrazolo[1,5-a]pyridin-7-one?
The InChIKey is ILJQOCJYGZDAJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H23N5OS/c1-20-34-24-16-15-23(18-27(24)39-20)29-25(35-28-14-8-9-17-33-28)19-26-30(21-10-4-2-5-11-21)31(36-37(26)32(29)38)22-12-6-3-7-13-22/h2-18H,19H2,1H3,(H,33,35).
What are the key properties of 6-(2-methyl-1,3-benzothiazol-6-yl)-2,3-diphenyl-5-(pyridin-2-ylamino)-4H-pyrazolo[1,5-a]pyridin-7-one?
6-(2-methyl-1,3-benzothiazol-6-yl)-2,3-diphenyl-5-(pyridin-2-ylamino)-4H-pyrazolo[1,5-a]pyridin-7-one has a molecular weight of 525.64 g/mol, XLogP of 7.25, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-methyl-1,3-benzothiazol-6-yl)-2,3-diphenyl-5-(pyridin-2-ylamino)-4H-pyrazolo[1,5-a]pyridin-7-one is sourced from PubChem (CID 147939125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).