3-[2-(1H-indazol-4-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]-N,N-dimethylpropan-1-amine

C22H26N6OS — CID 130267909

IUPAC3-[2-(1H-indazol-4-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]-N,N-dimethylpropan-1-amine
SMILESCN(C)CCCc1cc2nc(-c3cccc4[nH]ncc34)nc(N3CCOCC3)c2s1
InChIInChI=1S/C22H26N6OS/c1-27(2)8-4-5-15-13-19-20(30-15)22(28-9-11-29-12-10-28)25-21(24-19)16-6-3-7-18-17(16)14-23-26-18/h3,6-7,13-14H,4-5,8-12H2,1-2H3,(H,23,26)
InChIKeyKXZSQGPUGPONGV-UHFFFAOYSA-N
MW422.56 g/mol
LogP3.57
Rot. Bonds6

About 3-[2-(1H-indazol-4-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]-N,N-dimethylpropan-1-amine

3-[2-(1H-indazol-4-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]-N,N-dimethylpropan-1-amine (PubChem CID 130267909) has the molecular formula C22H26N6OS and a molecular weight of 422.56 g/mol. Its IUPAC name is 3-[2-(1H-indazol-4-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]-N,N-dimethylpropan-1-amine.

Molecular Properties

Compound Name3-[2-(1H-indazol-4-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]-N,N-dimethylpropan-1-amine
PubChem CID130267909
Molecular FormulaC22H26N6OS
Molecular Weight422.56 g/mol
Exact Mass422.19
IUPAC Name3-[2-(1H-indazol-4-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]-N,N-dimethylpropan-1-amine
SMILESCN(C)CCCc1cc2nc(-c3cccc4[nH]ncc34)nc(N3CCOCC3)c2s1
InChIInChI=1S/C22H26N6OS/c1-27(2)8-4-5-15-13-19-20(30-15)22(28-9-11-29-12-10-28)25-21(24-19)16-6-3-7-18-17(16)14-23-26-18/h3,6-7,13-14H,4-5,8-12H2,1-2H3,(H,23,26)
InChIKeyKXZSQGPUGPONGV-UHFFFAOYSA-N
XLogP3.57
TPSA70.17 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.56
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 3-[2-(1H-indazol-4-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]-N,N-dimethylpropan-1-amine with MolForge

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

Launch Full Analysis

Related Compounds

4-[6-chloro-2-(1H-indazol-4-yl)thieno[3,2-d]pyrimidin-4-yl]morpholine
CID 59592910
N-[[2-(1H-indazol-4-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]methanesulfonamide
CID 59592859
2-[2-(dimethylamino)ethyl-[[2-(1H-indazol-4-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]amino]-N-hydroxypyrimidine-5-carboxamide
CID 46840701
4-[6-ethenyl-2-(1H-indazol-4-yl)thieno[3,2-d]pyrimidin-4-yl]morpholine
CID 70310200
4-[6-(1,5-dihydropyrazol-2-ylmethyl)-2-(1H-indazol-4-yl)thieno[3,2-d]pyrimidin-4-yl]morpholine
CID 130241331
4-[6-(imidazol-1-ylmethyl)-2-(1H-indazol-4-yl)thieno[3,2-d]pyrimidin-4-yl]morpholine
CID 59593033
4-[2-(1H-indazol-4-yl)-6-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]thieno[3,2-d]pyrimidin-4-yl]morpholine
CID 11692075
1-[4-[[2-(1H-indazol-4-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]-1-methylsulfonylpiperazin-2-yl]-N,N-dimethylmethanamine
CID 59688527
2-(1H-indazol-4-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidine-6-carbonitrile
CID 59592848
N-[[2-(1H-indazol-4-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]-2-methylsulfonylethanamine
CID 59593057
N-[[2-(1H-indazol-4-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]pyridin-3-amine
CID 59593172
1-[[2-(1H-indazol-4-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]-N-methylpyrrolidin-3-amine
CID 143572078

Frequently Asked Questions

What is the IUPAC name of 3-[2-(1H-indazol-4-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]-N,N-dimethylpropan-1-amine?
The IUPAC name of 3-[2-(1H-indazol-4-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]-N,N-dimethylpropan-1-amine (CID 130267909) is 3-[2-(1H-indazol-4-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]-N,N-dimethylpropan-1-amine.
What is the SMILES notation for 3-[2-(1H-indazol-4-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]-N,N-dimethylpropan-1-amine?
The canonical SMILES for 3-[2-(1H-indazol-4-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]-N,N-dimethylpropan-1-amine is CN(C)CCCc1cc2nc(-c3cccc4[nH]ncc34)nc(N3CCOCC3)c2s1.
What is the InChIKey of 3-[2-(1H-indazol-4-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]-N,N-dimethylpropan-1-amine?
The InChIKey is KXZSQGPUGPONGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N6OS/c1-27(2)8-4-5-15-13-19-20(30-15)22(28-9-11-29-12-10-28)25-21(24-19)16-6-3-7-18-17(16)14-23-26-18/h3,6-7,13-14H,4-5,8-12H2,1-2H3,(H,23,26).
What are the key properties of 3-[2-(1H-indazol-4-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]-N,N-dimethylpropan-1-amine?
3-[2-(1H-indazol-4-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]-N,N-dimethylpropan-1-amine has a molecular weight of 422.56 g/mol, XLogP of 3.57, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(1H-indazol-4-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]-N,N-dimethylpropan-1-amine is sourced from PubChem (CID 130267909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).