N-[5-(6,7-dimethyl-4-morpholin-4-yl-6,7,9,10-tetrahydropurino[9,8-d][1,4]oxazepin-2-yl)-2-pyridinyl]acetamide

C22H27N7O3 — CID 146233694

IUPACN-[5-(6,7-dimethyl-4-morpholin-4-yl-6,7,9,10-tetrahydropurino[9,8-d][1,4]oxazepin-2-yl)-2-pyridinyl]acetamide
SMILESCC(=O)Nc1ccc(-c2nc(N3CCOCC3)c3nc4n(c3n2)CCOC(C)C4C)cn1
InChIInChI=1S/C22H27N7O3/c1-13-14(2)32-11-8-29-20(13)25-18-21(28-6-9-31-10-7-28)26-19(27-22(18)29)16-4-5-17(23-12-16)24-15(3)30/h4-5,12-14H,6-11H2,1-3H3,(H,23,24,30)
InChIKeyBJZSONDSTRWTIQ-UHFFFAOYSA-N
MW437.50 g/mol
LogP2.21
Rot. Bonds3

About N-[5-(6,7-dimethyl-4-morpholin-4-yl-6,7,9,10-tetrahydropurino[9,8-d][1,4]oxazepin-2-yl)-2-pyridinyl]acetamide

N-[5-(6,7-dimethyl-4-morpholin-4-yl-6,7,9,10-tetrahydropurino[9,8-d][1,4]oxazepin-2-yl)-2-pyridinyl]acetamide (PubChem CID 146233694) has the molecular formula C22H27N7O3 and a molecular weight of 437.50 g/mol. Its IUPAC name is N-[5-(6,7-dimethyl-4-morpholin-4-yl-6,7,9,10-tetrahydropurino[9,8-d][1,4]oxazepin-2-yl)-2-pyridinyl]acetamide.

Molecular Properties

Compound NameN-[5-(6,7-dimethyl-4-morpholin-4-yl-6,7,9,10-tetrahydropurino[9,8-d][1,4]oxazepin-2-yl)-2-pyridinyl]acetamide
PubChem CID146233694
Molecular FormulaC22H27N7O3
Molecular Weight437.50 g/mol
Exact Mass437.22
IUPAC NameN-[5-(6,7-dimethyl-4-morpholin-4-yl-6,7,9,10-tetrahydropurino[9,8-d][1,4]oxazepin-2-yl)-2-pyridinyl]acetamide
SMILESCC(=O)Nc1ccc(-c2nc(N3CCOCC3)c3nc4n(c3n2)CCOC(C)C4C)cn1
InChIInChI=1S/C22H27N7O3/c1-13-14(2)32-11-8-29-20(13)25-18-21(28-6-9-31-10-7-28)26-19(27-22(18)29)16-4-5-17(23-12-16)24-15(3)30/h4-5,12-14H,6-11H2,1-3H3,(H,23,24,30)
InChIKeyBJZSONDSTRWTIQ-UHFFFAOYSA-N
XLogP2.21
TPSA107.29 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.50
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze N-[5-(6,7-dimethyl-4-morpholin-4-yl-6,7,9,10-tetrahydropurino[9,8-d][1,4]oxazepin-2-yl)-2-pyridinyl]acetamide with MolForge

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Related Compounds

N-[5-(6,6-dimethyl-4-morpholin-4-yl-8,9-dihydropurino[8,9-c][1,4]oxazin-2-yl)pyrimidin-2-yl]acetamide
CID 57387875
[5-(6,6-dimethyl-4-morpholin-4-yl-8,9-dihydropurino[8,9-c][1,4]oxazin-2-yl)-2-pyridinyl]-(4-methylpiperazin-1-yl)methanone
CID 146233875
1-[5-(4-chloro-5-methyl-6-morpholin-4-ylpyrimidin-2-yl)-2-pyridinyl]-3-ethylurea
CID 89181872
1-[4-(6,6-dimethyl-4-morpholin-4-yl-8,9-dihydropurino[8,9-c][1,4]oxazin-2-yl)phenyl]-3-propan-2-ylurea
CID 57387417
1-methyl-3-[5-[(9R)-6-morpholin-4-yl-11-oxa-1,3,5-triazatricyclo[7.4.0.02,7]trideca-2,4,6-trien-4-yl]-2-pyridinyl]urea
CID 118000039
6,6-dimethyl-4-morpholin-4-yl-2-(1H-pyrrolo[2,3-b]pyridin-5-yl)-8,9-dihydropurino[8,9-c][1,4]oxazine
CID 57385104
1-[5-(4-chloro-5-methyl-6-morpholin-4-ylpyrimidin-2-yl)-2-pyridinyl]-3-phenylurea
CID 89181939
6,6-dimethyl-2-[4-(4-methylpiperazin-1-yl)phenyl]-4-morpholin-4-yl-8,9-dihydropurino[8,9-c][1,4]oxazine
CID 57387154
1-[4-(6,6-dimethyl-4-morpholin-4-yl-8,9-dihydropurino[8,9-c][1,4]oxazin-2-yl)phenyl]-2-propan-2-ylhydrazine
CID 122468945
5-(6,6-dimethyl-4-morpholin-4-yl-8,9-dihydropurino[8,9-c][1,4]oxazin-2-yl)-4-methylpyrimidin-2-amine
CID 57384862
6,6-dimethyl-2-(1-methylpyrazol-4-yl)-4-morpholin-4-yl-8,9-dihydropurino[8,9-c][1,4]oxazine
CID 57385868
6,6-dimethyl-2-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]-4-morpholin-4-yl-8,9-dihydropurino[8,9-c][1,4]oxazine
CID 57386137

Frequently Asked Questions

What is the IUPAC name of N-[5-(6,7-dimethyl-4-morpholin-4-yl-6,7,9,10-tetrahydropurino[9,8-d][1,4]oxazepin-2-yl)-2-pyridinyl]acetamide?
The IUPAC name of N-[5-(6,7-dimethyl-4-morpholin-4-yl-6,7,9,10-tetrahydropurino[9,8-d][1,4]oxazepin-2-yl)-2-pyridinyl]acetamide (CID 146233694) is N-[5-(6,7-dimethyl-4-morpholin-4-yl-6,7,9,10-tetrahydropurino[9,8-d][1,4]oxazepin-2-yl)-2-pyridinyl]acetamide.
What is the SMILES notation for N-[5-(6,7-dimethyl-4-morpholin-4-yl-6,7,9,10-tetrahydropurino[9,8-d][1,4]oxazepin-2-yl)-2-pyridinyl]acetamide?
The canonical SMILES for N-[5-(6,7-dimethyl-4-morpholin-4-yl-6,7,9,10-tetrahydropurino[9,8-d][1,4]oxazepin-2-yl)-2-pyridinyl]acetamide is CC(=O)Nc1ccc(-c2nc(N3CCOCC3)c3nc4n(c3n2)CCOC(C)C4C)cn1.
What is the InChIKey of N-[5-(6,7-dimethyl-4-morpholin-4-yl-6,7,9,10-tetrahydropurino[9,8-d][1,4]oxazepin-2-yl)-2-pyridinyl]acetamide?
The InChIKey is BJZSONDSTRWTIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N7O3/c1-13-14(2)32-11-8-29-20(13)25-18-21(28-6-9-31-10-7-28)26-19(27-22(18)29)16-4-5-17(23-12-16)24-15(3)30/h4-5,12-14H,6-11H2,1-3H3,(H,23,24,30).
What are the key properties of N-[5-(6,7-dimethyl-4-morpholin-4-yl-6,7,9,10-tetrahydropurino[9,8-d][1,4]oxazepin-2-yl)-2-pyridinyl]acetamide?
N-[5-(6,7-dimethyl-4-morpholin-4-yl-6,7,9,10-tetrahydropurino[9,8-d][1,4]oxazepin-2-yl)-2-pyridinyl]acetamide has a molecular weight of 437.50 g/mol, XLogP of 2.21, 3 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(6,7-dimethyl-4-morpholin-4-yl-6,7,9,10-tetrahydropurino[9,8-d][1,4]oxazepin-2-yl)-2-pyridinyl]acetamide is sourced from PubChem (CID 146233694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).