3-[2-(1H-indazol-5-ylamino)-2-oxoethoxy]-N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)benzamide

C23H22N6O3S — CID 56599104

IUPAC3-[2-(1H-indazol-5-ylamino)-2-oxoethoxy]-N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)benzamide
SMILESCN1CCc2nc(NC(=O)c3cccc(OCC(=O)Nc4ccc5[nH]ncc5c4)c3)sc2C1
InChIInChI=1S/C23H22N6O3S/c1-29-8-7-19-20(12-29)33-23(26-19)27-22(31)14-3-2-4-17(10-14)32-13-21(30)25-16-5-6-18-15(9-16)11-24-28-18/h2-6,9-11H,7-8,12-13H2,1H3,(H,24,28)(H,25,30)(H,26,27,31)
InChIKeyUTPIVBNPUFAUFL-UHFFFAOYSA-N
MW462.54 g/mol
LogP3.28
Rot. Bonds6

About 3-[2-(1H-indazol-5-ylamino)-2-oxoethoxy]-N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)benzamide

3-[2-(1H-indazol-5-ylamino)-2-oxoethoxy]-N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)benzamide (PubChem CID 56599104) has the molecular formula C23H22N6O3S and a molecular weight of 462.54 g/mol. Its IUPAC name is 3-[2-(1H-indazol-5-ylamino)-2-oxoethoxy]-N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)benzamide.

Molecular Properties

Compound Name3-[2-(1H-indazol-5-ylamino)-2-oxoethoxy]-N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)benzamide
PubChem CID56599104
Molecular FormulaC23H22N6O3S
Molecular Weight462.54 g/mol
Exact Mass462.15
IUPAC Name3-[2-(1H-indazol-5-ylamino)-2-oxoethoxy]-N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)benzamide
SMILESCN1CCc2nc(NC(=O)c3cccc(OCC(=O)Nc4ccc5[nH]ncc5c4)c3)sc2C1
InChIInChI=1S/C23H22N6O3S/c1-29-8-7-19-20(12-29)33-23(26-19)27-22(31)14-3-2-4-17(10-14)32-13-21(30)25-16-5-6-18-15(9-16)11-24-28-18/h2-6,9-11H,7-8,12-13H2,1H3,(H,24,28)(H,25,30)(H,26,27,31)
InChIKeyUTPIVBNPUFAUFL-UHFFFAOYSA-N
XLogP3.28
TPSA112.24 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.54
LogP ≤ 53.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(1H-indazol-5-ylamino)-2-oxoethoxy]-N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)benzamide?
The IUPAC name of 3-[2-(1H-indazol-5-ylamino)-2-oxoethoxy]-N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)benzamide (CID 56599104) is 3-[2-(1H-indazol-5-ylamino)-2-oxoethoxy]-N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)benzamide.
What is the SMILES notation for 3-[2-(1H-indazol-5-ylamino)-2-oxoethoxy]-N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)benzamide?
The canonical SMILES for 3-[2-(1H-indazol-5-ylamino)-2-oxoethoxy]-N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)benzamide is CN1CCc2nc(NC(=O)c3cccc(OCC(=O)Nc4ccc5[nH]ncc5c4)c3)sc2C1.
What is the InChIKey of 3-[2-(1H-indazol-5-ylamino)-2-oxoethoxy]-N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)benzamide?
The InChIKey is UTPIVBNPUFAUFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N6O3S/c1-29-8-7-19-20(12-29)33-23(26-19)27-22(31)14-3-2-4-17(10-14)32-13-21(30)25-16-5-6-18-15(9-16)11-24-28-18/h2-6,9-11H,7-8,12-13H2,1H3,(H,24,28)(H,25,30)(H,26,27,31).
What are the key properties of 3-[2-(1H-indazol-5-ylamino)-2-oxoethoxy]-N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)benzamide?
3-[2-(1H-indazol-5-ylamino)-2-oxoethoxy]-N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)benzamide has a molecular weight of 462.54 g/mol, XLogP of 3.28, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(1H-indazol-5-ylamino)-2-oxoethoxy]-N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)benzamide is sourced from PubChem (CID 56599104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).