4-[7-[(6-methoxy-1H-indazol-5-yl)amino]-[1,3]thiazolo[5,4-d]pyrimidin-2-yl]-N,N-dimethylbutanamide

C19H21N7O2S — CID 78322754

IUPAC4-[7-[(6-methoxy-1H-indazol-5-yl)amino]-[1,3]thiazolo[5,4-d]pyrimidin-2-yl]-N,N-dimethylbutanamide
SMILESCOc1cc2[nH]ncc2cc1Nc1ncnc2sc(CCCC(=O)N(C)C)nc12
InChIInChI=1S/C19H21N7O2S/c1-26(2)16(27)6-4-5-15-24-17-18(20-10-21-19(17)29-15)23-13-7-11-9-22-25-12(11)8-14(13)28-3/h7-10H,4-6H2,1-3H3,(H,22,25)(H,20,21,23)
InChIKeyLOQIDZDIKMNNIH-UHFFFAOYSA-N
MW411.49 g/mol
LogP3.13
Rot. Bonds7

About 4-[7-[(6-methoxy-1H-indazol-5-yl)amino]-[1,3]thiazolo[5,4-d]pyrimidin-2-yl]-N,N-dimethylbutanamide

4-[7-[(6-methoxy-1H-indazol-5-yl)amino]-[1,3]thiazolo[5,4-d]pyrimidin-2-yl]-N,N-dimethylbutanamide (PubChem CID 78322754) has the molecular formula C19H21N7O2S and a molecular weight of 411.49 g/mol. Its IUPAC name is 4-[7-[(6-methoxy-1H-indazol-5-yl)amino]-[1,3]thiazolo[5,4-d]pyrimidin-2-yl]-N,N-dimethylbutanamide.

Molecular Properties

Compound Name4-[7-[(6-methoxy-1H-indazol-5-yl)amino]-[1,3]thiazolo[5,4-d]pyrimidin-2-yl]-N,N-dimethylbutanamide
PubChem CID78322754
Molecular FormulaC19H21N7O2S
Molecular Weight411.49 g/mol
Exact Mass411.15
IUPAC Name4-[7-[(6-methoxy-1H-indazol-5-yl)amino]-[1,3]thiazolo[5,4-d]pyrimidin-2-yl]-N,N-dimethylbutanamide
SMILESCOc1cc2[nH]ncc2cc1Nc1ncnc2sc(CCCC(=O)N(C)C)nc12
InChIInChI=1S/C19H21N7O2S/c1-26(2)16(27)6-4-5-15-24-17-18(20-10-21-19(17)29-15)23-13-7-11-9-22-25-12(11)8-14(13)28-3/h7-10H,4-6H2,1-3H3,(H,22,25)(H,20,21,23)
InChIKeyLOQIDZDIKMNNIH-UHFFFAOYSA-N
XLogP3.13
TPSA108.92 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.49
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 4-[7-[(6-methoxy-1H-indazol-5-yl)amino]-[1,3]thiazolo[5,4-d]pyrimidin-2-yl]-N,N-dimethylbutanamide 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 4-[7-[(6-methoxy-1H-indazol-5-yl)amino]-[1,3]thiazolo[5,4-d]pyrimidin-2-yl]-N,N-dimethylbutanamide?
The IUPAC name of 4-[7-[(6-methoxy-1H-indazol-5-yl)amino]-[1,3]thiazolo[5,4-d]pyrimidin-2-yl]-N,N-dimethylbutanamide (CID 78322754) is 4-[7-[(6-methoxy-1H-indazol-5-yl)amino]-[1,3]thiazolo[5,4-d]pyrimidin-2-yl]-N,N-dimethylbutanamide.
What is the SMILES notation for 4-[7-[(6-methoxy-1H-indazol-5-yl)amino]-[1,3]thiazolo[5,4-d]pyrimidin-2-yl]-N,N-dimethylbutanamide?
The canonical SMILES for 4-[7-[(6-methoxy-1H-indazol-5-yl)amino]-[1,3]thiazolo[5,4-d]pyrimidin-2-yl]-N,N-dimethylbutanamide is COc1cc2[nH]ncc2cc1Nc1ncnc2sc(CCCC(=O)N(C)C)nc12.
What is the InChIKey of 4-[7-[(6-methoxy-1H-indazol-5-yl)amino]-[1,3]thiazolo[5,4-d]pyrimidin-2-yl]-N,N-dimethylbutanamide?
The InChIKey is LOQIDZDIKMNNIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N7O2S/c1-26(2)16(27)6-4-5-15-24-17-18(20-10-21-19(17)29-15)23-13-7-11-9-22-25-12(11)8-14(13)28-3/h7-10H,4-6H2,1-3H3,(H,22,25)(H,20,21,23).
What are the key properties of 4-[7-[(6-methoxy-1H-indazol-5-yl)amino]-[1,3]thiazolo[5,4-d]pyrimidin-2-yl]-N,N-dimethylbutanamide?
4-[7-[(6-methoxy-1H-indazol-5-yl)amino]-[1,3]thiazolo[5,4-d]pyrimidin-2-yl]-N,N-dimethylbutanamide has a molecular weight of 411.49 g/mol, XLogP of 3.13, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[7-[(6-methoxy-1H-indazol-5-yl)amino]-[1,3]thiazolo[5,4-d]pyrimidin-2-yl]-N,N-dimethylbutanamide is sourced from PubChem (CID 78322754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).