2-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)morpholin-4-yl]-4,6-dimethylpyridine-3-carbonitrile

C20H22N4O2S — CID 172881275

IUPAC2-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)morpholin-4-yl]-4,6-dimethylpyridine-3-carbonitrile
SMILESCc1cc(C)c(C#N)c(N2CCOC(C(=O)N3CCc4sccc4C3)C2)n1
InChIInChI=1S/C20H22N4O2S/c1-13-9-14(2)22-19(16(13)10-21)23-6-7-26-17(12-23)20(25)24-5-3-18-15(11-24)4-8-27-18/h4,8-9,17H,3,5-7,11-12H2,1-2H3
InChIKeyPNGBQVMVLDLWGM-UHFFFAOYSA-N
MW382.49 g/mol
LogP2.42
Rot. Bonds2

About 2-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)morpholin-4-yl]-4,6-dimethylpyridine-3-carbonitrile

2-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)morpholin-4-yl]-4,6-dimethylpyridine-3-carbonitrile (PubChem CID 172881275) has the molecular formula C20H22N4O2S and a molecular weight of 382.49 g/mol. Its IUPAC name is 2-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)morpholin-4-yl]-4,6-dimethylpyridine-3-carbonitrile.

Molecular Properties

Compound Name2-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)morpholin-4-yl]-4,6-dimethylpyridine-3-carbonitrile
PubChem CID172881275
Molecular FormulaC20H22N4O2S
Molecular Weight382.49 g/mol
Exact Mass382.15
IUPAC Name2-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)morpholin-4-yl]-4,6-dimethylpyridine-3-carbonitrile
SMILESCc1cc(C)c(C#N)c(N2CCOC(C(=O)N3CCc4sccc4C3)C2)n1
InChIInChI=1S/C20H22N4O2S/c1-13-9-14(2)22-19(16(13)10-21)23-6-7-26-17(12-23)20(25)24-5-3-18-15(11-24)4-8-27-18/h4,8-9,17H,3,5-7,11-12H2,1-2H3
InChIKeyPNGBQVMVLDLWGM-UHFFFAOYSA-N
XLogP2.42
TPSA69.46 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.49
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

4,6-dimethyl-2-[2-(thiomorpholine-4-carbonyl)morpholin-4-yl]pyridine-3-carbonitrile
CID 154583149
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
4-(3-cyano-4,6-dimethyl-2-pyridinyl)-N-cyclopropylmorpholine-2-carboxamide
CID 155975370
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
2-[1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-1-oxopropan-2-yl]sulfanyl-4,6-dimethylpyridine-3-carbonitrile
CID 134037652
6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl-[1-(2,6-dimethylpyrimidin-4-yl)azetidin-3-yl]methanone
CID 172899962
tert-butyl 2-(6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)morpholine-4-carboxylate
CID 172906467
6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl-[1-(4,6-dimethylpyrimidin-2-yl)piperidin-3-yl]methanone
CID 171993747
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
5-bromo-2-[3-(6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)piperidin-1-yl]pyridine-3-carbonitrile
CID 171994872
6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl-[1-(4-methylpyrimidin-2-yl)piperidin-4-yl]methanone
CID 171993308
3-[4-[4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-4-oxobutanoyl]piperazin-1-yl]-5,6-dimethylpyridazine-4-carbonitrile
CID 47089440

Frequently Asked Questions

What is the IUPAC name of 2-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)morpholin-4-yl]-4,6-dimethylpyridine-3-carbonitrile?
The IUPAC name of 2-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)morpholin-4-yl]-4,6-dimethylpyridine-3-carbonitrile (CID 172881275) is 2-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)morpholin-4-yl]-4,6-dimethylpyridine-3-carbonitrile.
What is the SMILES notation for 2-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)morpholin-4-yl]-4,6-dimethylpyridine-3-carbonitrile?
The canonical SMILES for 2-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)morpholin-4-yl]-4,6-dimethylpyridine-3-carbonitrile is Cc1cc(C)c(C#N)c(N2CCOC(C(=O)N3CCc4sccc4C3)C2)n1.
What is the InChIKey of 2-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)morpholin-4-yl]-4,6-dimethylpyridine-3-carbonitrile?
The InChIKey is PNGBQVMVLDLWGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O2S/c1-13-9-14(2)22-19(16(13)10-21)23-6-7-26-17(12-23)20(25)24-5-3-18-15(11-24)4-8-27-18/h4,8-9,17H,3,5-7,11-12H2,1-2H3.
What are the key properties of 2-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)morpholin-4-yl]-4,6-dimethylpyridine-3-carbonitrile?
2-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)morpholin-4-yl]-4,6-dimethylpyridine-3-carbonitrile has a molecular weight of 382.49 g/mol, XLogP of 2.42, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)morpholin-4-yl]-4,6-dimethylpyridine-3-carbonitrile is sourced from PubChem (CID 172881275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).