2-(dimethylamino)-N-[[2-[2-(1H-indazol-4-yl)morpholin-4-yl]thieno[3,2-d]pyrimidin-6-yl]methyl]acetamide

C22H25N7O2S — CID 67189341

IUPAC2-(dimethylamino)-N-[[2-[2-(1H-indazol-4-yl)morpholin-4-yl]thieno[3,2-d]pyrimidin-6-yl]methyl]acetamide
SMILESCN(C)CC(=O)NCc1cc2nc(N3CCOC(c4cccc5[nH]ncc45)C3)ncc2s1
InChIInChI=1S/C22H25N7O2S/c1-28(2)13-21(30)23-9-14-8-18-20(32-14)11-24-22(26-18)29-6-7-31-19(12-29)15-4-3-5-17-16(15)10-25-27-17/h3-5,8,10-11,19H,6-7,9,12-13H2,1-2H3,(H,23,30)(H,25,27)
InChIKeyPGGQOSQNLMOJHX-UHFFFAOYSA-N
MW451.56 g/mol
LogP2.32
Rot. Bonds6

About 2-(dimethylamino)-N-[[2-[2-(1H-indazol-4-yl)morpholin-4-yl]thieno[3,2-d]pyrimidin-6-yl]methyl]acetamide

2-(dimethylamino)-N-[[2-[2-(1H-indazol-4-yl)morpholin-4-yl]thieno[3,2-d]pyrimidin-6-yl]methyl]acetamide (PubChem CID 67189341) has the molecular formula C22H25N7O2S and a molecular weight of 451.56 g/mol. Its IUPAC name is 2-(dimethylamino)-N-[[2-[2-(1H-indazol-4-yl)morpholin-4-yl]thieno[3,2-d]pyrimidin-6-yl]methyl]acetamide.

Molecular Properties

Compound Name2-(dimethylamino)-N-[[2-[2-(1H-indazol-4-yl)morpholin-4-yl]thieno[3,2-d]pyrimidin-6-yl]methyl]acetamide
PubChem CID67189341
Molecular FormulaC22H25N7O2S
Molecular Weight451.56 g/mol
Exact Mass451.18
IUPAC Name2-(dimethylamino)-N-[[2-[2-(1H-indazol-4-yl)morpholin-4-yl]thieno[3,2-d]pyrimidin-6-yl]methyl]acetamide
SMILESCN(C)CC(=O)NCc1cc2nc(N3CCOC(c4cccc5[nH]ncc45)C3)ncc2s1
InChIInChI=1S/C22H25N7O2S/c1-28(2)13-21(30)23-9-14-8-18-20(32-14)11-24-22(26-18)29-6-7-31-19(12-29)15-4-3-5-17-16(15)10-25-27-17/h3-5,8,10-11,19H,6-7,9,12-13H2,1-2H3,(H,23,30)(H,25,27)
InChIKeyPGGQOSQNLMOJHX-UHFFFAOYSA-N
XLogP2.32
TPSA99.27 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.56
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)-N-[[2-[2-(1H-indazol-4-yl)morpholin-4-yl]thieno[3,2-d]pyrimidin-6-yl]methyl]acetamide?
The IUPAC name of 2-(dimethylamino)-N-[[2-[2-(1H-indazol-4-yl)morpholin-4-yl]thieno[3,2-d]pyrimidin-6-yl]methyl]acetamide (CID 67189341) is 2-(dimethylamino)-N-[[2-[2-(1H-indazol-4-yl)morpholin-4-yl]thieno[3,2-d]pyrimidin-6-yl]methyl]acetamide.
What is the SMILES notation for 2-(dimethylamino)-N-[[2-[2-(1H-indazol-4-yl)morpholin-4-yl]thieno[3,2-d]pyrimidin-6-yl]methyl]acetamide?
The canonical SMILES for 2-(dimethylamino)-N-[[2-[2-(1H-indazol-4-yl)morpholin-4-yl]thieno[3,2-d]pyrimidin-6-yl]methyl]acetamide is CN(C)CC(=O)NCc1cc2nc(N3CCOC(c4cccc5[nH]ncc45)C3)ncc2s1.
What is the InChIKey of 2-(dimethylamino)-N-[[2-[2-(1H-indazol-4-yl)morpholin-4-yl]thieno[3,2-d]pyrimidin-6-yl]methyl]acetamide?
The InChIKey is PGGQOSQNLMOJHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N7O2S/c1-28(2)13-21(30)23-9-14-8-18-20(32-14)11-24-22(26-18)29-6-7-31-19(12-29)15-4-3-5-17-16(15)10-25-27-17/h3-5,8,10-11,19H,6-7,9,12-13H2,1-2H3,(H,23,30)(H,25,27).
What are the key properties of 2-(dimethylamino)-N-[[2-[2-(1H-indazol-4-yl)morpholin-4-yl]thieno[3,2-d]pyrimidin-6-yl]methyl]acetamide?
2-(dimethylamino)-N-[[2-[2-(1H-indazol-4-yl)morpholin-4-yl]thieno[3,2-d]pyrimidin-6-yl]methyl]acetamide has a molecular weight of 451.56 g/mol, XLogP of 2.32, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)-N-[[2-[2-(1H-indazol-4-yl)morpholin-4-yl]thieno[3,2-d]pyrimidin-6-yl]methyl]acetamide is sourced from PubChem (CID 67189341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).