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

C20H22N8O3S — CID 78323712

IUPACN-[3-(dimethylamino)-3-oxopropyl]-7-[(6-methoxy-1H-indazol-5-yl)amino]-N-methyl-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide
SMILESCOc1cc2[nH]ncc2cc1Nc1ncnc2sc(C(=O)N(C)CCC(=O)N(C)C)nc12
InChIInChI=1S/C20H22N8O3S/c1-27(2)15(29)5-6-28(3)20(30)19-25-16-17(21-10-22-18(16)32-19)24-13-7-11-9-23-26-12(11)8-14(13)31-4/h7-10H,5-6H2,1-4H3,(H,23,26)(H,21,22,24)
InChIKeyRHMWHKLMOIVTHU-UHFFFAOYSA-N
MW454.52 g/mol
LogP2.27
Rot. Bonds7

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

N-[3-(dimethylamino)-3-oxopropyl]-7-[(6-methoxy-1H-indazol-5-yl)amino]-N-methyl-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide (PubChem CID 78323712) has the molecular formula C20H22N8O3S and a molecular weight of 454.52 g/mol. Its IUPAC name is N-[3-(dimethylamino)-3-oxopropyl]-7-[(6-methoxy-1H-indazol-5-yl)amino]-N-methyl-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide.

Molecular Properties

Compound NameN-[3-(dimethylamino)-3-oxopropyl]-7-[(6-methoxy-1H-indazol-5-yl)amino]-N-methyl-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide
PubChem CID78323712
Molecular FormulaC20H22N8O3S
Molecular Weight454.52 g/mol
Exact Mass454.15
IUPAC NameN-[3-(dimethylamino)-3-oxopropyl]-7-[(6-methoxy-1H-indazol-5-yl)amino]-N-methyl-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide
SMILESCOc1cc2[nH]ncc2cc1Nc1ncnc2sc(C(=O)N(C)CCC(=O)N(C)C)nc12
InChIInChI=1S/C20H22N8O3S/c1-27(2)15(29)5-6-28(3)20(30)19-25-16-17(21-10-22-18(16)32-19)24-13-7-11-9-23-26-12(11)8-14(13)31-4/h7-10H,5-6H2,1-4H3,(H,23,26)(H,21,22,24)
InChIKeyRHMWHKLMOIVTHU-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-[3-(dimethylamino)-3-oxopropyl]-7-[(6-methoxy-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-[3-(dimethylamino)-3-oxopropyl]-7-[(6-methoxy-1H-indazol-5-yl)amino]-N-methyl-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide?
The IUPAC name of N-[3-(dimethylamino)-3-oxopropyl]-7-[(6-methoxy-1H-indazol-5-yl)amino]-N-methyl-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide (CID 78323712) is N-[3-(dimethylamino)-3-oxopropyl]-7-[(6-methoxy-1H-indazol-5-yl)amino]-N-methyl-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide.
What is the SMILES notation for N-[3-(dimethylamino)-3-oxopropyl]-7-[(6-methoxy-1H-indazol-5-yl)amino]-N-methyl-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide?
The canonical SMILES for N-[3-(dimethylamino)-3-oxopropyl]-7-[(6-methoxy-1H-indazol-5-yl)amino]-N-methyl-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide is COc1cc2[nH]ncc2cc1Nc1ncnc2sc(C(=O)N(C)CCC(=O)N(C)C)nc12.
What is the InChIKey of N-[3-(dimethylamino)-3-oxopropyl]-7-[(6-methoxy-1H-indazol-5-yl)amino]-N-methyl-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide?
The InChIKey is RHMWHKLMOIVTHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N8O3S/c1-27(2)15(29)5-6-28(3)20(30)19-25-16-17(21-10-22-18(16)32-19)24-13-7-11-9-23-26-12(11)8-14(13)31-4/h7-10H,5-6H2,1-4H3,(H,23,26)(H,21,22,24).
What are the key properties of N-[3-(dimethylamino)-3-oxopropyl]-7-[(6-methoxy-1H-indazol-5-yl)amino]-N-methyl-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide?
N-[3-(dimethylamino)-3-oxopropyl]-7-[(6-methoxy-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-[3-(dimethylamino)-3-oxopropyl]-7-[(6-methoxy-1H-indazol-5-yl)amino]-N-methyl-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide is sourced from PubChem (CID 78323712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).