5-[5-(3-phenylpropyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-6-yl]-3-pyrazin-2-yl-1,2,4-oxadiazole

C21H21N7O — CID 74507497

IUPAC5-[5-(3-phenylpropyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-6-yl]-3-pyrazin-2-yl-1,2,4-oxadiazole
SMILESc1ccc(CCCN2Cc3[nH]cnc3CC2c2nc(-c3cnccn3)no2)cc1
InChIInChI=1S/C21H21N7O/c1-2-5-15(6-3-1)7-4-10-28-13-18-16(24-14-25-18)11-19(28)21-26-20(27-29-21)17-12-22-8-9-23-17/h1-3,5-6,8-9,12,14,19H,4,7,10-11,13H2,(H,24,25)
InChIKeyQSLSNMIBESNQPE-UHFFFAOYSA-N
MW387.45 g/mol
LogP2.98
Rot. Bonds6

About 5-[5-(3-phenylpropyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-6-yl]-3-pyrazin-2-yl-1,2,4-oxadiazole

5-[5-(3-phenylpropyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-6-yl]-3-pyrazin-2-yl-1,2,4-oxadiazole (PubChem CID 74507497) has the molecular formula C21H21N7O and a molecular weight of 387.45 g/mol. Its IUPAC name is 5-[5-(3-phenylpropyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-6-yl]-3-pyrazin-2-yl-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[5-(3-phenylpropyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-6-yl]-3-pyrazin-2-yl-1,2,4-oxadiazole
PubChem CID74507497
Molecular FormulaC21H21N7O
Molecular Weight387.45 g/mol
Exact Mass387.18
IUPAC Name5-[5-(3-phenylpropyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-6-yl]-3-pyrazin-2-yl-1,2,4-oxadiazole
SMILESc1ccc(CCCN2Cc3[nH]cnc3CC2c2nc(-c3cnccn3)no2)cc1
InChIInChI=1S/C21H21N7O/c1-2-5-15(6-3-1)7-4-10-28-13-18-16(24-14-25-18)11-19(28)21-26-20(27-29-21)17-12-22-8-9-23-17/h1-3,5-6,8-9,12,14,19H,4,7,10-11,13H2,(H,24,25)
InChIKeyQSLSNMIBESNQPE-UHFFFAOYSA-N
XLogP2.98
TPSA96.62 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.45
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

3-pyrazin-2-yl-5-[(6S)-5-[[4-(trifluoromethyl)phenyl]methyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-6-yl]-1,2,4-oxadiazole
CID 26744742
5-[(6S)-5-[(4-nitrophenyl)methyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-6-yl]-3-pyrazin-2-yl-1,2,4-oxadiazole
CID 26744732
5-[(6S)-5-[(4-fluorophenyl)methyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-6-yl]-3-pyridin-2-yl-1,2,4-oxadiazole
CID 26744812
5-[(6S)-5-[(4-methoxyphenyl)methyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-6-yl]-3-pyridin-2-yl-1,2,4-oxadiazole
CID 26744806
5-(5-benzyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-6-yl)-3-naphthalen-2-yl-1,2,4-oxadiazole
CID 74507576
5-[(2S)-1-benzylpyrrolidin-2-yl]-3-pyrazin-2-yl-1,2,4-oxadiazole
CID 97071015
3-pyridin-4-yl-5-[5-(thiophen-2-ylmethyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-6-yl]-1,2,4-oxadiazole
CID 74507574
4-[[6-(3-naphthalen-2-yl-1,2,4-oxadiazol-5-yl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methyl]benzoic acid
CID 74507577
5-[(6S)-5-[(4-chlorophenyl)methyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-6-yl]-3-(4-methoxyphenyl)-1,2,4-oxadiazole
CID 26744932
5-[(6S)-5-(cyclohexylmethyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-6-yl]-3-(4-methylphenyl)-1,2,4-oxadiazole
CID 26744796
(6S)-N-phenyl-6-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxamide
CID 26745091
3-benzyl-5-[(6S)-5-[(4-methylsulfonylphenyl)methyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-6-yl]-1,2,4-oxadiazole
CID 26745181

Frequently Asked Questions

What is the IUPAC name of 5-[5-(3-phenylpropyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-6-yl]-3-pyrazin-2-yl-1,2,4-oxadiazole?
The IUPAC name of 5-[5-(3-phenylpropyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-6-yl]-3-pyrazin-2-yl-1,2,4-oxadiazole (CID 74507497) is 5-[5-(3-phenylpropyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-6-yl]-3-pyrazin-2-yl-1,2,4-oxadiazole.
What is the SMILES notation for 5-[5-(3-phenylpropyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-6-yl]-3-pyrazin-2-yl-1,2,4-oxadiazole?
The canonical SMILES for 5-[5-(3-phenylpropyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-6-yl]-3-pyrazin-2-yl-1,2,4-oxadiazole is c1ccc(CCCN2Cc3[nH]cnc3CC2c2nc(-c3cnccn3)no2)cc1.
What is the InChIKey of 5-[5-(3-phenylpropyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-6-yl]-3-pyrazin-2-yl-1,2,4-oxadiazole?
The InChIKey is QSLSNMIBESNQPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N7O/c1-2-5-15(6-3-1)7-4-10-28-13-18-16(24-14-25-18)11-19(28)21-26-20(27-29-21)17-12-22-8-9-23-17/h1-3,5-6,8-9,12,14,19H,4,7,10-11,13H2,(H,24,25).
What are the key properties of 5-[5-(3-phenylpropyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-6-yl]-3-pyrazin-2-yl-1,2,4-oxadiazole?
5-[5-(3-phenylpropyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-6-yl]-3-pyrazin-2-yl-1,2,4-oxadiazole has a molecular weight of 387.45 g/mol, XLogP of 2.98, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-(3-phenylpropyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-6-yl]-3-pyrazin-2-yl-1,2,4-oxadiazole is sourced from PubChem (CID 74507497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).