1-oxo-3-[(4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methyl]-4H-pyrido[1,2-a]benzimidazole-4-carbonitrile

C26H20N4OS — CID 43064482

IUPAC1-oxo-3-[(4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methyl]-4H-pyrido[1,2-a]benzimidazole-4-carbonitrile
SMILESN#CC1C(CN2CCc3sccc3C2c2ccccc2)=CC(=O)n2c1nc1ccccc12
InChIInChI=1S/C26H20N4OS/c27-15-20-18(14-24(31)30-22-9-5-4-8-21(22)28-26(20)30)16-29-12-10-23-19(11-13-32-23)25(29)17-6-2-1-3-7-17/h1-9,11,13-14,20,25H,10,12,16H2
InChIKeyLRVVHYQIDHCUNS-UHFFFAOYSA-N
MW436.54 g/mol
LogP4.93
Rot. Bonds3

About 1-oxo-3-[(4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methyl]-4H-pyrido[1,2-a]benzimidazole-4-carbonitrile

1-oxo-3-[(4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methyl]-4H-pyrido[1,2-a]benzimidazole-4-carbonitrile (PubChem CID 43064482) has the molecular formula C26H20N4OS and a molecular weight of 436.54 g/mol. Its IUPAC name is 1-oxo-3-[(4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methyl]-4H-pyrido[1,2-a]benzimidazole-4-carbonitrile.

Molecular Properties

Compound Name1-oxo-3-[(4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methyl]-4H-pyrido[1,2-a]benzimidazole-4-carbonitrile
PubChem CID43064482
Molecular FormulaC26H20N4OS
Molecular Weight436.54 g/mol
Exact Mass436.14
IUPAC Name1-oxo-3-[(4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methyl]-4H-pyrido[1,2-a]benzimidazole-4-carbonitrile
SMILESN#CC1C(CN2CCc3sccc3C2c2ccccc2)=CC(=O)n2c1nc1ccccc12
InChIInChI=1S/C26H20N4OS/c27-15-20-18(14-24(31)30-22-9-5-4-8-21(22)28-26(20)30)16-29-12-10-23-19(11-13-32-23)25(29)17-6-2-1-3-7-17/h1-9,11,13-14,20,25H,10,12,16H2
InChIKeyLRVVHYQIDHCUNS-UHFFFAOYSA-N
XLogP4.93
TPSA61.92 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.54
LogP ≤ 54.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 1-oxo-3-[(4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methyl]-4H-pyrido[1,2-a]benzimidazole-4-carbonitrile with MolForge

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Related Compounds

3-[(2-methyl-3,4-dihydro-2H-quinolin-1-yl)methyl]-1-oxo-4H-pyrido[1,2-a]benzimidazole-4-carbonitrile
CID 43064474
2-[(4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methyl]phthalazin-1-one
CID 42890741
(4S)-3-[[(4-ethylphenyl)methyl-methylamino]methyl]-1-oxo-4H-pyrido[1,2-a]benzimidazole-4-carbonitrile
CID 36924745
1-morpholin-4-yl-2-[(4S)-4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethanone
CID 26377272
1-[4-(cyclopentanecarbonyl)-1,4-diazepan-1-yl]-2-(4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethanone
CID 24719104
N-phenyl-2-[(4S)-4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]acetamide
CID 25479842
methyl 4-oxo-2-[[(4S)-4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]methyl]-3H-quinazoline-7-carboxylate
CID 135925785
2-[(4R)-4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-1-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethanone
CID 40927608
3-cyclopentyl-1-[4-[2-(4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)acetyl]-1,4-diazepan-1-yl]propan-1-one
CID 24719102
2-[[(4S)-4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]methyl]quinazolin-4-amine
CID 25352181
N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-2-[(4S)-4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]acetamide
CID 9451044
1-[4-[2-[(4R)-4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]acetyl]-1,4-diazepan-1-yl]nonan-1-one
CID 98396545

Frequently Asked Questions

What is the IUPAC name of 1-oxo-3-[(4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methyl]-4H-pyrido[1,2-a]benzimidazole-4-carbonitrile?
The IUPAC name of 1-oxo-3-[(4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methyl]-4H-pyrido[1,2-a]benzimidazole-4-carbonitrile (CID 43064482) is 1-oxo-3-[(4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methyl]-4H-pyrido[1,2-a]benzimidazole-4-carbonitrile.
What is the SMILES notation for 1-oxo-3-[(4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methyl]-4H-pyrido[1,2-a]benzimidazole-4-carbonitrile?
The canonical SMILES for 1-oxo-3-[(4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methyl]-4H-pyrido[1,2-a]benzimidazole-4-carbonitrile is N#CC1C(CN2CCc3sccc3C2c2ccccc2)=CC(=O)n2c1nc1ccccc12.
What is the InChIKey of 1-oxo-3-[(4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methyl]-4H-pyrido[1,2-a]benzimidazole-4-carbonitrile?
The InChIKey is LRVVHYQIDHCUNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H20N4OS/c27-15-20-18(14-24(31)30-22-9-5-4-8-21(22)28-26(20)30)16-29-12-10-23-19(11-13-32-23)25(29)17-6-2-1-3-7-17/h1-9,11,13-14,20,25H,10,12,16H2.
What are the key properties of 1-oxo-3-[(4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methyl]-4H-pyrido[1,2-a]benzimidazole-4-carbonitrile?
1-oxo-3-[(4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methyl]-4H-pyrido[1,2-a]benzimidazole-4-carbonitrile has a molecular weight of 436.54 g/mol, XLogP of 4.93, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-oxo-3-[(4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methyl]-4H-pyrido[1,2-a]benzimidazole-4-carbonitrile is sourced from PubChem (CID 43064482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).