1-benzyl-N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)pyrazolo[3,4-b]pyridine-5-carboxamide

C25H22N6O2S — CID 24624581

IUPAC1-benzyl-N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)pyrazolo[3,4-b]pyridine-5-carboxamide
SMILESO=C(Nc1ccc2nc(N3CCOCC3)sc2c1)c1cnc2c(cnn2Cc2ccccc2)c1
InChIInChI=1S/C25H22N6O2S/c32-24(19-12-18-15-27-31(23(18)26-14-19)16-17-4-2-1-3-5-17)28-20-6-7-21-22(13-20)34-25(29-21)30-8-10-33-11-9-30/h1-7,12-15H,8-11,16H2,(H,28,32)
InChIKeyPSGORIXAGBJWCO-UHFFFAOYSA-N
MW470.56 g/mol
LogP4.18
Rot. Bonds5

About 1-benzyl-N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)pyrazolo[3,4-b]pyridine-5-carboxamide

1-benzyl-N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)pyrazolo[3,4-b]pyridine-5-carboxamide (PubChem CID 24624581) has the molecular formula C25H22N6O2S and a molecular weight of 470.56 g/mol. Its IUPAC name is 1-benzyl-N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)pyrazolo[3,4-b]pyridine-5-carboxamide.

Molecular Properties

Compound Name1-benzyl-N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)pyrazolo[3,4-b]pyridine-5-carboxamide
PubChem CID24624581
Molecular FormulaC25H22N6O2S
Molecular Weight470.56 g/mol
Exact Mass470.15
IUPAC Name1-benzyl-N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)pyrazolo[3,4-b]pyridine-5-carboxamide
SMILESO=C(Nc1ccc2nc(N3CCOCC3)sc2c1)c1cnc2c(cnn2Cc2ccccc2)c1
InChIInChI=1S/C25H22N6O2S/c32-24(19-12-18-15-27-31(23(18)26-14-19)16-17-4-2-1-3-5-17)28-20-6-7-21-22(13-20)34-25(29-21)30-8-10-33-11-9-30/h1-7,12-15H,8-11,16H2,(H,28,32)
InChIKeyPSGORIXAGBJWCO-UHFFFAOYSA-N
XLogP4.18
TPSA85.17 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.56
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

1-benzyl-N-[4-[(2-morpholin-4-ylacetyl)amino]phenyl]pyrazolo[3,4-b]pyridine-5-carboxamide
CID 24622914
N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)-2-phenyl-1,3-thiazole-4-carboxamide
CID 46520819
N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)-4-(1,2,4-triazol-1-ylmethyl)benzamide
CID 134036027
6-morpholin-4-yl-N-(2-pyrrolidin-1-yl-1,3-benzothiazol-6-yl)pyridine-3-carboxamide
CID 24609066
N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)furan-3-carboxamide
CID 27021882
N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)naphthalene-1-carboxamide
CID 9405180
1-benzyl-N-(2-methyl-1,3-benzoxazol-5-yl)pyrazolo[3,4-b]pyridine-5-carboxamide
CID 24622636
2-benzyl-4-methyl-N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)-1,3-thiazole-5-carboxamide
CID 46437904
1-benzyl-N-(3-methylphenyl)pyrazolo[3,4-b]pyridine-5-carboxamide
CID 24624200
N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)-3-(pyrimidin-2-ylamino)benzamide
CID 35445200
1-benzyl-N-(1-methylpyrazol-4-yl)pyrazolo[3,4-b]pyridine-5-carboxamide
CID 32607487
1-benzyl-N-[3-chloro-4-(2-oxopyrrolidin-1-yl)phenyl]pyrazolo[3,4-b]pyridine-5-carboxamide
CID 24625383

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)pyrazolo[3,4-b]pyridine-5-carboxamide?
The IUPAC name of 1-benzyl-N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)pyrazolo[3,4-b]pyridine-5-carboxamide (CID 24624581) is 1-benzyl-N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)pyrazolo[3,4-b]pyridine-5-carboxamide.
What is the SMILES notation for 1-benzyl-N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)pyrazolo[3,4-b]pyridine-5-carboxamide?
The canonical SMILES for 1-benzyl-N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)pyrazolo[3,4-b]pyridine-5-carboxamide is O=C(Nc1ccc2nc(N3CCOCC3)sc2c1)c1cnc2c(cnn2Cc2ccccc2)c1.
What is the InChIKey of 1-benzyl-N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)pyrazolo[3,4-b]pyridine-5-carboxamide?
The InChIKey is PSGORIXAGBJWCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22N6O2S/c32-24(19-12-18-15-27-31(23(18)26-14-19)16-17-4-2-1-3-5-17)28-20-6-7-21-22(13-20)34-25(29-21)30-8-10-33-11-9-30/h1-7,12-15H,8-11,16H2,(H,28,32).
What are the key properties of 1-benzyl-N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)pyrazolo[3,4-b]pyridine-5-carboxamide?
1-benzyl-N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)pyrazolo[3,4-b]pyridine-5-carboxamide has a molecular weight of 470.56 g/mol, XLogP of 4.18, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)pyrazolo[3,4-b]pyridine-5-carboxamide is sourced from PubChem (CID 24624581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).