2-[1-(2-phenylethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]-6-pyridin-3-ylimidazo[2,1-b][1,3,4]thiadiazole

C23H21N7S — CID 133452475

IUPAC2-[1-(2-phenylethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]-6-pyridin-3-ylimidazo[2,1-b][1,3,4]thiadiazole
SMILESc1ccc(CCn2cnc3c2CCN(c2nn4cc(-c5cccnc5)nc4s2)C3)cc1
InChIInChI=1S/C23H21N7S/c1-2-5-17(6-3-1)8-11-29-16-25-20-14-28(12-9-21(20)29)23-27-30-15-19(26-22(30)31-23)18-7-4-10-24-13-18/h1-7,10,13,15-16H,8-9,11-12,14H2
InChIKeyKBPCMQGEJFNBIK-UHFFFAOYSA-N
MW427.54 g/mol
LogP3.85
Rot. Bonds5

About 2-[1-(2-phenylethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]-6-pyridin-3-ylimidazo[2,1-b][1,3,4]thiadiazole

2-[1-(2-phenylethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]-6-pyridin-3-ylimidazo[2,1-b][1,3,4]thiadiazole (PubChem CID 133452475) has the molecular formula C23H21N7S and a molecular weight of 427.54 g/mol. Its IUPAC name is 2-[1-(2-phenylethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]-6-pyridin-3-ylimidazo[2,1-b][1,3,4]thiadiazole.

Molecular Properties

Compound Name2-[1-(2-phenylethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]-6-pyridin-3-ylimidazo[2,1-b][1,3,4]thiadiazole
PubChem CID133452475
Molecular FormulaC23H21N7S
Molecular Weight427.54 g/mol
Exact Mass427.16
IUPAC Name2-[1-(2-phenylethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]-6-pyridin-3-ylimidazo[2,1-b][1,3,4]thiadiazole
SMILESc1ccc(CCn2cnc3c2CCN(c2nn4cc(-c5cccnc5)nc4s2)C3)cc1
InChIInChI=1S/C23H21N7S/c1-2-5-17(6-3-1)8-11-29-16-25-20-14-28(12-9-21(20)29)23-27-30-15-19(26-22(30)31-23)18-7-4-10-24-13-18/h1-7,10,13,15-16H,8-9,11-12,14H2
InChIKeyKBPCMQGEJFNBIK-UHFFFAOYSA-N
XLogP3.85
TPSA64.14 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.54
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 2-[1-(2-phenylethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]-6-pyridin-3-ylimidazo[2,1-b][1,3,4]thiadiazole with MolForge

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Related Compounds

2-(4-phenylpiperazin-1-yl)-6-pyridin-3-ylimidazo[2,1-b][1,3,4]thiadiazole
CID 133462553
3-methyl-1-(6-pyridin-3-ylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)piperidin-4-one
CID 133497389
furan-2-yl-[4-(6-pyridin-3-ylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)piperazin-1-yl]methanone
CID 133462677
ethyl 4-(6-pyridin-3-ylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)piperazine-1-carboxylate
CID 133462646
4-chloro-2-[1-(2-phenylethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]benzonitrile
CID 133452443
5-(4-methylsulfonylphenyl)-1-(2-phenylethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine
CID 133452613
6-phenyl-2-(pyridin-3-ylmethylsulfonyl)imidazo[2,1-b][1,3,4]thiadiazole
CID 11314285
N-phenyl-6-pyridin-3-ylimidazo[2,1-b][1,3,4]thiadiazol-2-amine
CID 133462554
1-[6-(4-methylphenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide
CID 20906841
6-methyl-2-[4-(pyridin-3-ylmethyl)piperazin-1-yl]imidazo[2,1-b][1,3,4]thiadiazole
CID 35417968
5-(3-fluoro-2-nitrophenyl)-1-(2-phenylethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine
CID 133452461
4-[1-(2-phenylethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]-3-(trifluoromethyl)benzonitrile
CID 133452532

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-phenylethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]-6-pyridin-3-ylimidazo[2,1-b][1,3,4]thiadiazole?
The IUPAC name of 2-[1-(2-phenylethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]-6-pyridin-3-ylimidazo[2,1-b][1,3,4]thiadiazole (CID 133452475) is 2-[1-(2-phenylethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]-6-pyridin-3-ylimidazo[2,1-b][1,3,4]thiadiazole.
What is the SMILES notation for 2-[1-(2-phenylethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]-6-pyridin-3-ylimidazo[2,1-b][1,3,4]thiadiazole?
The canonical SMILES for 2-[1-(2-phenylethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]-6-pyridin-3-ylimidazo[2,1-b][1,3,4]thiadiazole is c1ccc(CCn2cnc3c2CCN(c2nn4cc(-c5cccnc5)nc4s2)C3)cc1.
What is the InChIKey of 2-[1-(2-phenylethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]-6-pyridin-3-ylimidazo[2,1-b][1,3,4]thiadiazole?
The InChIKey is KBPCMQGEJFNBIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N7S/c1-2-5-17(6-3-1)8-11-29-16-25-20-14-28(12-9-21(20)29)23-27-30-15-19(26-22(30)31-23)18-7-4-10-24-13-18/h1-7,10,13,15-16H,8-9,11-12,14H2.
What are the key properties of 2-[1-(2-phenylethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]-6-pyridin-3-ylimidazo[2,1-b][1,3,4]thiadiazole?
2-[1-(2-phenylethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]-6-pyridin-3-ylimidazo[2,1-b][1,3,4]thiadiazole has a molecular weight of 427.54 g/mol, XLogP of 3.85, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-phenylethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]-6-pyridin-3-ylimidazo[2,1-b][1,3,4]thiadiazole is sourced from PubChem (CID 133452475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).