3-[4-(5,5-dimethyl-2-morpholin-4-yl-7-oxo-4,6-dihydrothieno[2,3-c]pyridin-3-yl)-2-pyridinyl]-N,N-dimethylbenzamide

C27H30N4O3S — CID 68776290

IUPAC3-[4-(5,5-dimethyl-2-morpholin-4-yl-7-oxo-4,6-dihydrothieno[2,3-c]pyridin-3-yl)-2-pyridinyl]-N,N-dimethylbenzamide
SMILESCN(C)C(=O)c1cccc(-c2cc(-c3c(N4CCOCC4)sc4c3CC(C)(C)NC4=O)ccn2)c1
InChIInChI=1S/C27H30N4O3S/c1-27(2)16-20-22(26(31-10-12-34-13-11-31)35-23(20)24(32)29-27)18-8-9-28-21(15-18)17-6-5-7-19(14-17)25(33)30(3)4/h5-9,14-15H,10-13,16H2,1-4H3,(H,29,32)
InChIKeyIOOHMQSIRWQTJP-UHFFFAOYSA-N
MW490.63 g/mol
LogP4.08
Rot. Bonds4

About 3-[4-(5,5-dimethyl-2-morpholin-4-yl-7-oxo-4,6-dihydrothieno[2,3-c]pyridin-3-yl)-2-pyridinyl]-N,N-dimethylbenzamide

3-[4-(5,5-dimethyl-2-morpholin-4-yl-7-oxo-4,6-dihydrothieno[2,3-c]pyridin-3-yl)-2-pyridinyl]-N,N-dimethylbenzamide (PubChem CID 68776290) has the molecular formula C27H30N4O3S and a molecular weight of 490.63 g/mol. Its IUPAC name is 3-[4-(5,5-dimethyl-2-morpholin-4-yl-7-oxo-4,6-dihydrothieno[2,3-c]pyridin-3-yl)-2-pyridinyl]-N,N-dimethylbenzamide.

Molecular Properties

Compound Name3-[4-(5,5-dimethyl-2-morpholin-4-yl-7-oxo-4,6-dihydrothieno[2,3-c]pyridin-3-yl)-2-pyridinyl]-N,N-dimethylbenzamide
PubChem CID68776290
Molecular FormulaC27H30N4O3S
Molecular Weight490.63 g/mol
Exact Mass490.20
IUPAC Name3-[4-(5,5-dimethyl-2-morpholin-4-yl-7-oxo-4,6-dihydrothieno[2,3-c]pyridin-3-yl)-2-pyridinyl]-N,N-dimethylbenzamide
SMILESCN(C)C(=O)c1cccc(-c2cc(-c3c(N4CCOCC4)sc4c3CC(C)(C)NC4=O)ccn2)c1
InChIInChI=1S/C27H30N4O3S/c1-27(2)16-20-22(26(31-10-12-34-13-11-31)35-23(20)24(32)29-27)18-8-9-28-21(15-18)17-6-5-7-19(14-17)25(33)30(3)4/h5-9,14-15H,10-13,16H2,1-4H3,(H,29,32)
InChIKeyIOOHMQSIRWQTJP-UHFFFAOYSA-N
XLogP4.08
TPSA74.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.63
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[4-(5,5-dimethyl-2-morpholin-4-yl-7-oxo-4,6-dihydrothieno[2,3-c]pyridin-3-yl)-2-pyridinyl]-N,N-dimethylbenzamide?
The IUPAC name of 3-[4-(5,5-dimethyl-2-morpholin-4-yl-7-oxo-4,6-dihydrothieno[2,3-c]pyridin-3-yl)-2-pyridinyl]-N,N-dimethylbenzamide (CID 68776290) is 3-[4-(5,5-dimethyl-2-morpholin-4-yl-7-oxo-4,6-dihydrothieno[2,3-c]pyridin-3-yl)-2-pyridinyl]-N,N-dimethylbenzamide.
What is the SMILES notation for 3-[4-(5,5-dimethyl-2-morpholin-4-yl-7-oxo-4,6-dihydrothieno[2,3-c]pyridin-3-yl)-2-pyridinyl]-N,N-dimethylbenzamide?
The canonical SMILES for 3-[4-(5,5-dimethyl-2-morpholin-4-yl-7-oxo-4,6-dihydrothieno[2,3-c]pyridin-3-yl)-2-pyridinyl]-N,N-dimethylbenzamide is CN(C)C(=O)c1cccc(-c2cc(-c3c(N4CCOCC4)sc4c3CC(C)(C)NC4=O)ccn2)c1.
What is the InChIKey of 3-[4-(5,5-dimethyl-2-morpholin-4-yl-7-oxo-4,6-dihydrothieno[2,3-c]pyridin-3-yl)-2-pyridinyl]-N,N-dimethylbenzamide?
The InChIKey is IOOHMQSIRWQTJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30N4O3S/c1-27(2)16-20-22(26(31-10-12-34-13-11-31)35-23(20)24(32)29-27)18-8-9-28-21(15-18)17-6-5-7-19(14-17)25(33)30(3)4/h5-9,14-15H,10-13,16H2,1-4H3,(H,29,32).
What are the key properties of 3-[4-(5,5-dimethyl-2-morpholin-4-yl-7-oxo-4,6-dihydrothieno[2,3-c]pyridin-3-yl)-2-pyridinyl]-N,N-dimethylbenzamide?
3-[4-(5,5-dimethyl-2-morpholin-4-yl-7-oxo-4,6-dihydrothieno[2,3-c]pyridin-3-yl)-2-pyridinyl]-N,N-dimethylbenzamide has a molecular weight of 490.63 g/mol, XLogP of 4.08, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(5,5-dimethyl-2-morpholin-4-yl-7-oxo-4,6-dihydrothieno[2,3-c]pyridin-3-yl)-2-pyridinyl]-N,N-dimethylbenzamide is sourced from PubChem (CID 68776290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).