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

C21H17N7O2 — CID 26744744

IUPAC5-[(6S)-5-(1-benzofuran-2-ylmethyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-6-yl]-3-pyrazin-2-yl-1,2,4-oxadiazole
SMILESc1ccc2oc(CN3Cc4[nH]cnc4C[C@H]3c3nc(-c4cnccn4)no3)cc2c1
InChIInChI=1S/C21H17N7O2/c1-2-4-19-13(3-1)7-14(29-19)10-28-11-17-15(24-12-25-17)8-18(28)21-26-20(27-30-21)16-9-22-5-6-23-16/h1-7,9,12,18H,8,10-11H2,(H,24,25)/t18-/m0/s1
InChIKeyJIRVIFASOZZYNU-SFHVURJKSA-N
MW399.41 g/mol
LogP3.30
Rot. Bonds4

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

5-[(6S)-5-(1-benzofuran-2-ylmethyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-6-yl]-3-pyrazin-2-yl-1,2,4-oxadiazole (PubChem CID 26744744) has the molecular formula C21H17N7O2 and a molecular weight of 399.41 g/mol. Its IUPAC name is 5-[(6S)-5-(1-benzofuran-2-ylmethyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-6-yl]-3-pyrazin-2-yl-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[(6S)-5-(1-benzofuran-2-ylmethyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-6-yl]-3-pyrazin-2-yl-1,2,4-oxadiazole
PubChem CID26744744
Molecular FormulaC21H17N7O2
Molecular Weight399.41 g/mol
Exact Mass399.14
IUPAC Name5-[(6S)-5-(1-benzofuran-2-ylmethyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-6-yl]-3-pyrazin-2-yl-1,2,4-oxadiazole
SMILESc1ccc2oc(CN3Cc4[nH]cnc4C[C@H]3c3nc(-c4cnccn4)no3)cc2c1
InChIInChI=1S/C21H17N7O2/c1-2-4-19-13(3-1)7-14(29-19)10-28-11-17-15(24-12-25-17)8-18(28)21-26-20(27-30-21)16-9-22-5-6-23-16/h1-7,9,12,18H,8,10-11H2,(H,24,25)/t18-/m0/s1
InChIKeyJIRVIFASOZZYNU-SFHVURJKSA-N
XLogP3.30
TPSA109.76 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.41
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 5-[(6S)-5-(1-benzofuran-2-ylmethyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-6-yl]-3-pyrazin-2-yl-1,2,4-oxadiazole with MolForge

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Related Compounds

6-Benzofuran-2-yl-2-methyl-4-piperidin-1-yl-5H-pyrrolo[3,2-d]pyrimidine
CID 10471957
(E)-3-(5-(1-cyclohexyl-1,6-dihydroimidazo[4,5-d]pyrrolo[2,3-b]pyridin-2-yl)furan-2-yl)-N,N-dimethylacrylamide (3)
CID 122362931
3-[5-(3-Cyclohexyl-3,5,8,10-tetrazatricyclo[7.3.0.0^{2,6}]dodeca-1(9),2(6),4,7,11-pentaen-4-yl)furan-2-yl]propanenitrile
CID 134611728
3-[5-(3-Cyclohexyl-3,5,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaen-4-yl)furan-2-yl]-2-(4-methylpiperazine-1-carbonyl)prop-2-enenitrile
CID 145963345
4-(1-Benzofuran-2-yl)-2-(4-methylpiperazin-1-yl)-6-(1-methylpyrrol-2-yl)pyrimidine
CID 10833166
2-(2-furanylmethyl)-3-[[2-(3-pyridinyl)-3H-benzimidazol-5-yl]amino]-3H-isoindol-1-one
CID 5307293
5-(2-furyl)-6-pyrimidin-4-yl-3H-imidazo[4,5-b]pyridine
CID 11952504
5-(2-Amino-pyrimidin-4-yl)-2-benzofuran-2-yl-1H-pyrrole-3-carboxamide
CID 49788931
2'(2-(benzofuran-2-yl)pyrimidin-4-yl)-5',6'-dihydrospiro[piperidine-4,7'-pyrrolo[3,2-c]pyridin]-4'(1'H)-one
CID 53246589
2-[2-(1-benzofuran-2-yl)pyrimidin-4-yl]spiro[5,6-dihydro-1H-pyrrolo[3,2-c]pyridine-7,3'-piperidine]-4-one
CID 54580897
2-[2-(1-benzofuran-2-yl)pyrimidin-4-yl]-1'-methylspiro[5,6-dihydro-1H-pyrrolo[3,2-c]pyridine-7,4'-piperidine]-4-one
CID 54582875
2-[2-(1-benzofuran-2-yl)pyrimidin-4-yl]-1'-ethylspiro[5,6-dihydro-1H-pyrrolo[3,2-c]pyridine-7,4'-piperidine]-4-one
CID 54587800

Frequently Asked Questions

What is the IUPAC name of 5-[(6S)-5-(1-benzofuran-2-ylmethyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-6-yl]-3-pyrazin-2-yl-1,2,4-oxadiazole?
The IUPAC name of 5-[(6S)-5-(1-benzofuran-2-ylmethyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-6-yl]-3-pyrazin-2-yl-1,2,4-oxadiazole (CID 26744744) is 5-[(6S)-5-(1-benzofuran-2-ylmethyl)-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-[(6S)-5-(1-benzofuran-2-ylmethyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-6-yl]-3-pyrazin-2-yl-1,2,4-oxadiazole?
The canonical SMILES for 5-[(6S)-5-(1-benzofuran-2-ylmethyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-6-yl]-3-pyrazin-2-yl-1,2,4-oxadiazole is c1ccc2oc(CN3Cc4[nH]cnc4C[C@H]3c3nc(-c4cnccn4)no3)cc2c1.
What is the InChIKey of 5-[(6S)-5-(1-benzofuran-2-ylmethyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-6-yl]-3-pyrazin-2-yl-1,2,4-oxadiazole?
The InChIKey is JIRVIFASOZZYNU-SFHVURJKSA-N. The full InChI is InChI=1S/C21H17N7O2/c1-2-4-19-13(3-1)7-14(29-19)10-28-11-17-15(24-12-25-17)8-18(28)21-26-20(27-30-21)16-9-22-5-6-23-16/h1-7,9,12,18H,8,10-11H2,(H,24,25)/t18-/m0/s1.
What are the key properties of 5-[(6S)-5-(1-benzofuran-2-ylmethyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-6-yl]-3-pyrazin-2-yl-1,2,4-oxadiazole?
5-[(6S)-5-(1-benzofuran-2-ylmethyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-6-yl]-3-pyrazin-2-yl-1,2,4-oxadiazole has a molecular weight of 399.41 g/mol, XLogP of 3.30, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(6S)-5-(1-benzofuran-2-ylmethyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-6-yl]-3-pyrazin-2-yl-1,2,4-oxadiazole is sourced from PubChem (CID 26744744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).