10,10-dimethyl-2-(4-morpholin-4-ylpiperidin-1-yl)-4-oxo-9H-thieno[3,2-b]carbazole-7-carbonitrile

C26H28N4O2S — CID 78319845

IUPAC10,10-dimethyl-2-(4-morpholin-4-ylpiperidin-1-yl)-4-oxo-9H-thieno[3,2-b]carbazole-7-carbonitrile
SMILESCC1(C)c2cc(N3CCC(N4CCOCC4)CC3)sc2C(=O)c2c1[nH]c1cc(C#N)ccc21
InChIInChI=1S/C26H28N4O2S/c1-26(2)19-14-21(30-7-5-17(6-8-30)29-9-11-32-12-10-29)33-24(19)23(31)22-18-4-3-16(15-27)13-20(18)28-25(22)26/h3-4,13-14,17,28H,5-12H2,1-2H3
InChIKeyYOOGWLVDJADVKS-UHFFFAOYSA-N
MW460.60 g/mol
LogP4.27
Rot. Bonds2

About 10,10-dimethyl-2-(4-morpholin-4-ylpiperidin-1-yl)-4-oxo-9H-thieno[3,2-b]carbazole-7-carbonitrile

10,10-dimethyl-2-(4-morpholin-4-ylpiperidin-1-yl)-4-oxo-9H-thieno[3,2-b]carbazole-7-carbonitrile (PubChem CID 78319845) has the molecular formula C26H28N4O2S and a molecular weight of 460.60 g/mol. Its IUPAC name is 10,10-dimethyl-2-(4-morpholin-4-ylpiperidin-1-yl)-4-oxo-9H-thieno[3,2-b]carbazole-7-carbonitrile.

Molecular Properties

Compound Name10,10-dimethyl-2-(4-morpholin-4-ylpiperidin-1-yl)-4-oxo-9H-thieno[3,2-b]carbazole-7-carbonitrile
PubChem CID78319845
Molecular FormulaC26H28N4O2S
Molecular Weight460.60 g/mol
Exact Mass460.19
IUPAC Name10,10-dimethyl-2-(4-morpholin-4-ylpiperidin-1-yl)-4-oxo-9H-thieno[3,2-b]carbazole-7-carbonitrile
SMILESCC1(C)c2cc(N3CCC(N4CCOCC4)CC3)sc2C(=O)c2c1[nH]c1cc(C#N)ccc21
InChIInChI=1S/C26H28N4O2S/c1-26(2)19-14-21(30-7-5-17(6-8-30)29-9-11-32-12-10-29)33-24(19)23(31)22-18-4-3-16(15-27)13-20(18)28-25(22)26/h3-4,13-14,17,28H,5-12H2,1-2H3
InChIKeyYOOGWLVDJADVKS-UHFFFAOYSA-N
XLogP4.27
TPSA72.36 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.60
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

6,6-Dimethyl-8-(4-morpholinopiperidin-1-yl)-11-oxo-6,11-dihydro-5H-benzo[b]carbazole-3-carbonitrile
CID 57396463
8-(4-cyclopropylpiperazin-1-yl)-6,6-dimethyl-11-oxo-9-thiophen-2-yl-5H-benzo[b]carbazole-3-carbonitrile
CID 66834011
9-Ethyl-6,11-dihydro-6,6-dimethyl-10-[4-(4-morpholinyl)-1-piperidinyl]-11-oxo-5H-benzo[b]carbazole-3-carbonitrile
CID 66834858
3-Amino-4-[4-(5,5-dimethyl-2-morpholin-4-yl-7-oxo-4,6-dihydro-1-benzothiophen-3-yl)-2-pyridinyl]benzonitrile
CID 68776067
5,5-dimethyl-2-morpholin-4-yl-3-[6-[3-[[(3S)-pyrrolidin-3-yl]amino]phenyl]-2-pyridinyl]-4,6-dihydro-1-benzothiophen-7-one
CID 68777524
N-[3-(5,5-dimethyl-2-morpholin-4-yl-7-oxo-4,6-dihydro-1-benzothiophen-3-yl)phenyl]-1H-indole-3-carboxamide
CID 68778393
10,10-dimethyl-2-(4-morpholin-4-ylpiperidin-1-yl)-4-oxo-9H-[1,3]thiazolo[4,5-b]carbazole-7-carbonitrile
CID 76955704
10,10-dimethyl-2-[4-(oxetan-3-yl)piperazin-1-yl]-4-oxo-9H-[1,3]thiazolo[4,5-b]carbazole-7-carbonitrile
CID 78319846
10,10-dimethyl-2-[4-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)piperidin-1-yl]-4-oxo-9H-[1,3]thiazolo[4,5-b]carbazole-7-carbonitrile
CID 86580960
10,10-dimethyl-2-(8-morpholin-4-yl-3-azabicyclo[3.2.1]octan-3-yl)-4-oxo-9H-[1,3]thiazolo[4,5-b]carbazole-7-carbonitrile
CID 86580961
10,10-dimethyl-2-(3-morpholin-4-yl-8-azabicyclo[3.2.1]octan-8-yl)-4-oxo-9H-[1,3]thiazolo[4,5-b]carbazole-7-carbonitrile
CID 86580962
10,10-dimethyl-2-(9-methyl-3,9-diazaspiro[5.5]undecan-3-yl)-4-oxo-9H-[1,3]thiazolo[4,5-b]carbazole-7-carbonitrile
CID 86581250

Frequently Asked Questions

What is the IUPAC name of 10,10-dimethyl-2-(4-morpholin-4-ylpiperidin-1-yl)-4-oxo-9H-thieno[3,2-b]carbazole-7-carbonitrile?
The IUPAC name of 10,10-dimethyl-2-(4-morpholin-4-ylpiperidin-1-yl)-4-oxo-9H-thieno[3,2-b]carbazole-7-carbonitrile (CID 78319845) is 10,10-dimethyl-2-(4-morpholin-4-ylpiperidin-1-yl)-4-oxo-9H-thieno[3,2-b]carbazole-7-carbonitrile.
What is the SMILES notation for 10,10-dimethyl-2-(4-morpholin-4-ylpiperidin-1-yl)-4-oxo-9H-thieno[3,2-b]carbazole-7-carbonitrile?
The canonical SMILES for 10,10-dimethyl-2-(4-morpholin-4-ylpiperidin-1-yl)-4-oxo-9H-thieno[3,2-b]carbazole-7-carbonitrile is CC1(C)c2cc(N3CCC(N4CCOCC4)CC3)sc2C(=O)c2c1[nH]c1cc(C#N)ccc21.
What is the InChIKey of 10,10-dimethyl-2-(4-morpholin-4-ylpiperidin-1-yl)-4-oxo-9H-thieno[3,2-b]carbazole-7-carbonitrile?
The InChIKey is YOOGWLVDJADVKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N4O2S/c1-26(2)19-14-21(30-7-5-17(6-8-30)29-9-11-32-12-10-29)33-24(19)23(31)22-18-4-3-16(15-27)13-20(18)28-25(22)26/h3-4,13-14,17,28H,5-12H2,1-2H3.
What are the key properties of 10,10-dimethyl-2-(4-morpholin-4-ylpiperidin-1-yl)-4-oxo-9H-thieno[3,2-b]carbazole-7-carbonitrile?
10,10-dimethyl-2-(4-morpholin-4-ylpiperidin-1-yl)-4-oxo-9H-thieno[3,2-b]carbazole-7-carbonitrile has a molecular weight of 460.60 g/mol, XLogP of 4.27, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 10,10-dimethyl-2-(4-morpholin-4-ylpiperidin-1-yl)-4-oxo-9H-thieno[3,2-b]carbazole-7-carbonitrile is sourced from PubChem (CID 78319845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).