N-[2-(dimethylamino)-2-oxoethyl]-7-[(6-ethoxy-1H-indazol-5-yl)amino]-N-methyl-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide

C20H22N8O3S — CID 78323714

IUPACN-[2-(dimethylamino)-2-oxoethyl]-7-[(6-ethoxy-1H-indazol-5-yl)amino]-N-methyl-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide
SMILESCCOc1cc2[nH]ncc2cc1Nc1ncnc2sc(C(=O)N(C)CC(=O)N(C)C)nc12
InChIInChI=1S/C20H22N8O3S/c1-5-31-14-7-12-11(8-23-26-12)6-13(14)24-17-16-18(22-10-21-17)32-19(25-16)20(30)28(4)9-15(29)27(2)3/h6-8,10H,5,9H2,1-4H3,(H,23,26)(H,21,22,24)
InChIKeyKDZDBRGGLATXJY-UHFFFAOYSA-N
MW454.52 g/mol
LogP2.27
Rot. Bonds7

About N-[2-(dimethylamino)-2-oxoethyl]-7-[(6-ethoxy-1H-indazol-5-yl)amino]-N-methyl-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide

N-[2-(dimethylamino)-2-oxoethyl]-7-[(6-ethoxy-1H-indazol-5-yl)amino]-N-methyl-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide (PubChem CID 78323714) has the molecular formula C20H22N8O3S and a molecular weight of 454.52 g/mol. Its IUPAC name is N-[2-(dimethylamino)-2-oxoethyl]-7-[(6-ethoxy-1H-indazol-5-yl)amino]-N-methyl-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)-2-oxoethyl]-7-[(6-ethoxy-1H-indazol-5-yl)amino]-N-methyl-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide
PubChem CID78323714
Molecular FormulaC20H22N8O3S
Molecular Weight454.52 g/mol
Exact Mass454.15
IUPAC NameN-[2-(dimethylamino)-2-oxoethyl]-7-[(6-ethoxy-1H-indazol-5-yl)amino]-N-methyl-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide
SMILESCCOc1cc2[nH]ncc2cc1Nc1ncnc2sc(C(=O)N(C)CC(=O)N(C)C)nc12
InChIInChI=1S/C20H22N8O3S/c1-5-31-14-7-12-11(8-23-26-12)6-13(14)24-17-16-18(22-10-21-17)32-19(25-16)20(30)28(4)9-15(29)27(2)3/h6-8,10H,5,9H2,1-4H3,(H,23,26)(H,21,22,24)
InChIKeyKDZDBRGGLATXJY-UHFFFAOYSA-N
XLogP2.27
TPSA129.23 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.52
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze N-[2-(dimethylamino)-2-oxoethyl]-7-[(6-ethoxy-1H-indazol-5-yl)amino]-N-methyl-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)-2-oxoethyl]-7-[(6-ethoxy-1H-indazol-5-yl)amino]-N-methyl-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide?
The IUPAC name of N-[2-(dimethylamino)-2-oxoethyl]-7-[(6-ethoxy-1H-indazol-5-yl)amino]-N-methyl-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide (CID 78323714) is N-[2-(dimethylamino)-2-oxoethyl]-7-[(6-ethoxy-1H-indazol-5-yl)amino]-N-methyl-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide.
What is the SMILES notation for N-[2-(dimethylamino)-2-oxoethyl]-7-[(6-ethoxy-1H-indazol-5-yl)amino]-N-methyl-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide?
The canonical SMILES for N-[2-(dimethylamino)-2-oxoethyl]-7-[(6-ethoxy-1H-indazol-5-yl)amino]-N-methyl-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide is CCOc1cc2[nH]ncc2cc1Nc1ncnc2sc(C(=O)N(C)CC(=O)N(C)C)nc12.
What is the InChIKey of N-[2-(dimethylamino)-2-oxoethyl]-7-[(6-ethoxy-1H-indazol-5-yl)amino]-N-methyl-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide?
The InChIKey is KDZDBRGGLATXJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N8O3S/c1-5-31-14-7-12-11(8-23-26-12)6-13(14)24-17-16-18(22-10-21-17)32-19(25-16)20(30)28(4)9-15(29)27(2)3/h6-8,10H,5,9H2,1-4H3,(H,23,26)(H,21,22,24).
What are the key properties of N-[2-(dimethylamino)-2-oxoethyl]-7-[(6-ethoxy-1H-indazol-5-yl)amino]-N-methyl-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide?
N-[2-(dimethylamino)-2-oxoethyl]-7-[(6-ethoxy-1H-indazol-5-yl)amino]-N-methyl-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide has a molecular weight of 454.52 g/mol, XLogP of 2.27, 7 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)-2-oxoethyl]-7-[(6-ethoxy-1H-indazol-5-yl)amino]-N-methyl-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide is sourced from PubChem (CID 78323714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).