6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl-[4-(7-methylthieno[3,2-d]pyrimidin-4-yl)morpholin-2-yl]methanone

C19H20N4O2S2 — CID 172881963

IUPAC6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl-[4-(7-methylthieno[3,2-d]pyrimidin-4-yl)morpholin-2-yl]methanone
SMILESCc1csc2c(N3CCOC(C(=O)N4CCc5sccc5C4)C3)ncnc12
InChIInChI=1S/C19H20N4O2S2/c1-12-10-27-17-16(12)20-11-21-18(17)22-5-6-25-14(9-22)19(24)23-4-2-15-13(8-23)3-7-26-15/h3,7,10-11,14H,2,4-6,8-9H2,1H3
InChIKeyVDMRFGOJSXXWNC-UHFFFAOYSA-N
MW400.53 g/mol
LogP2.85
Rot. Bonds2

About 6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl-[4-(7-methylthieno[3,2-d]pyrimidin-4-yl)morpholin-2-yl]methanone

6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl-[4-(7-methylthieno[3,2-d]pyrimidin-4-yl)morpholin-2-yl]methanone (PubChem CID 172881963) has the molecular formula C19H20N4O2S2 and a molecular weight of 400.53 g/mol. Its IUPAC name is 6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl-[4-(7-methylthieno[3,2-d]pyrimidin-4-yl)morpholin-2-yl]methanone.

Molecular Properties

Compound Name6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl-[4-(7-methylthieno[3,2-d]pyrimidin-4-yl)morpholin-2-yl]methanone
PubChem CID172881963
Molecular FormulaC19H20N4O2S2
Molecular Weight400.53 g/mol
Exact Mass400.10
IUPAC Name6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl-[4-(7-methylthieno[3,2-d]pyrimidin-4-yl)morpholin-2-yl]methanone
SMILESCc1csc2c(N3CCOC(C(=O)N4CCc5sccc5C4)C3)ncnc12
InChIInChI=1S/C19H20N4O2S2/c1-12-10-27-17-16(12)20-11-21-18(17)22-5-6-25-14(9-22)19(24)23-4-2-15-13(8-23)3-7-26-15/h3,7,10-11,14H,2,4-6,8-9H2,1H3
InChIKeyVDMRFGOJSXXWNC-UHFFFAOYSA-N
XLogP2.85
TPSA58.56 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.53
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

2-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)morpholin-4-yl]-4,6-dimethylpyridine-3-carbonitrile
CID 172881275
6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl-[4-[4-(trifluoromethyl)-1,3-thiazol-2-yl]morpholin-2-yl]methanone
CID 172891941
[1-(7-methylthieno[3,2-d]pyrimidin-4-yl)pyrrolidin-3-yl]-pyrrolidin-1-ylmethanone
CID 166602843
tert-butyl 2-(6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)morpholine-4-carboxylate
CID 172906467
1-(7-methylthieno[3,2-d]pyrimidin-4-yl)piperidine-3-carboxylic acid
CID 102685906
1-(7-methylthieno[3,2-d]pyrimidin-4-yl)azetidin-3-ol
CID 102687027
6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl-[1-(2,6-dimethylpyrimidin-4-yl)azetidin-3-yl]methanone
CID 172899962
(2S,6R)-2,6-dimethyl-4-(7-methylthieno[3,2-d]pyrimidin-4-yl)morpholine
CID 6923426
[1-(7-methylthieno[3,2-d]pyrimidin-4-yl)azetidin-3-yl]methanol
CID 102687035
1-(7-methylthieno[3,2-d]pyrimidin-4-yl)piperidin-4-ol
CID 102687010
N-methyl-N-[1-(7-methylthieno[3,2-d]pyrimidin-4-yl)piperidin-4-yl]morpholine-4-carboxamide
CID 172893051
6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl-[1-(2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)azetidin-3-yl]methanone
CID 172892419

Frequently Asked Questions

What is the IUPAC name of 6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl-[4-(7-methylthieno[3,2-d]pyrimidin-4-yl)morpholin-2-yl]methanone?
The IUPAC name of 6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl-[4-(7-methylthieno[3,2-d]pyrimidin-4-yl)morpholin-2-yl]methanone (CID 172881963) is 6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl-[4-(7-methylthieno[3,2-d]pyrimidin-4-yl)morpholin-2-yl]methanone.
What is the SMILES notation for 6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl-[4-(7-methylthieno[3,2-d]pyrimidin-4-yl)morpholin-2-yl]methanone?
The canonical SMILES for 6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl-[4-(7-methylthieno[3,2-d]pyrimidin-4-yl)morpholin-2-yl]methanone is Cc1csc2c(N3CCOC(C(=O)N4CCc5sccc5C4)C3)ncnc12.
What is the InChIKey of 6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl-[4-(7-methylthieno[3,2-d]pyrimidin-4-yl)morpholin-2-yl]methanone?
The InChIKey is VDMRFGOJSXXWNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O2S2/c1-12-10-27-17-16(12)20-11-21-18(17)22-5-6-25-14(9-22)19(24)23-4-2-15-13(8-23)3-7-26-15/h3,7,10-11,14H,2,4-6,8-9H2,1H3.
What are the key properties of 6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl-[4-(7-methylthieno[3,2-d]pyrimidin-4-yl)morpholin-2-yl]methanone?
6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl-[4-(7-methylthieno[3,2-d]pyrimidin-4-yl)morpholin-2-yl]methanone has a molecular weight of 400.53 g/mol, XLogP of 2.85, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl-[4-(7-methylthieno[3,2-d]pyrimidin-4-yl)morpholin-2-yl]methanone is sourced from PubChem (CID 172881963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).