5-[(6S)-5-[(4-methoxyphenyl)methyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-6-yl]-3-naphthalen-2-yl-1,2,4-oxadiazole

C26H23N5O2 — CID 26744888

IUPAC5-[(6S)-5-[(4-methoxyphenyl)methyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-6-yl]-3-naphthalen-2-yl-1,2,4-oxadiazole
SMILESCOc1ccc(CN2Cc3[nH]cnc3C[C@H]2c2nc(-c3ccc4ccccc4c3)no2)cc1
InChIInChI=1S/C26H23N5O2/c1-32-21-10-6-17(7-11-21)14-31-15-23-22(27-16-28-23)13-24(31)26-29-25(30-33-26)20-9-8-18-4-2-3-5-19(18)12-20/h2-12,16,24H,13-15H2,1H3,(H,27,28)/t24-/m0/s1
InChIKeyKMBXTEPLEXLBNY-DEOSSOPVSA-N
MW437.50 g/mol
LogP4.92
Rot. Bonds5

About 5-[(6S)-5-[(4-methoxyphenyl)methyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-6-yl]-3-naphthalen-2-yl-1,2,4-oxadiazole

5-[(6S)-5-[(4-methoxyphenyl)methyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-6-yl]-3-naphthalen-2-yl-1,2,4-oxadiazole (PubChem CID 26744888) has the molecular formula C26H23N5O2 and a molecular weight of 437.50 g/mol. Its IUPAC name is 5-[(6S)-5-[(4-methoxyphenyl)methyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-6-yl]-3-naphthalen-2-yl-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[(6S)-5-[(4-methoxyphenyl)methyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-6-yl]-3-naphthalen-2-yl-1,2,4-oxadiazole
PubChem CID26744888
Molecular FormulaC26H23N5O2
Molecular Weight437.50 g/mol
Exact Mass437.19
IUPAC Name5-[(6S)-5-[(4-methoxyphenyl)methyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-6-yl]-3-naphthalen-2-yl-1,2,4-oxadiazole
SMILESCOc1ccc(CN2Cc3[nH]cnc3C[C@H]2c2nc(-c3ccc4ccccc4c3)no2)cc1
InChIInChI=1S/C26H23N5O2/c1-32-21-10-6-17(7-11-21)14-31-15-23-22(27-16-28-23)13-24(31)26-29-25(30-33-26)20-9-8-18-4-2-3-5-19(18)12-20/h2-12,16,24H,13-15H2,1H3,(H,27,28)/t24-/m0/s1
InChIKeyKMBXTEPLEXLBNY-DEOSSOPVSA-N
XLogP4.92
TPSA80.07 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.50
LogP ≤ 54.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 5-[(6S)-5-[(4-methoxyphenyl)methyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-6-yl]-3-naphthalen-2-yl-1,2,4-oxadiazole with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-[(6S)-5-[(4-methoxyphenyl)methyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-6-yl]-3-naphthalen-2-yl-1,2,4-oxadiazole?
The IUPAC name of 5-[(6S)-5-[(4-methoxyphenyl)methyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-6-yl]-3-naphthalen-2-yl-1,2,4-oxadiazole (CID 26744888) is 5-[(6S)-5-[(4-methoxyphenyl)methyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-6-yl]-3-naphthalen-2-yl-1,2,4-oxadiazole.
What is the SMILES notation for 5-[(6S)-5-[(4-methoxyphenyl)methyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-6-yl]-3-naphthalen-2-yl-1,2,4-oxadiazole?
The canonical SMILES for 5-[(6S)-5-[(4-methoxyphenyl)methyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-6-yl]-3-naphthalen-2-yl-1,2,4-oxadiazole is COc1ccc(CN2Cc3[nH]cnc3C[C@H]2c2nc(-c3ccc4ccccc4c3)no2)cc1.
What is the InChIKey of 5-[(6S)-5-[(4-methoxyphenyl)methyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-6-yl]-3-naphthalen-2-yl-1,2,4-oxadiazole?
The InChIKey is KMBXTEPLEXLBNY-DEOSSOPVSA-N. The full InChI is InChI=1S/C26H23N5O2/c1-32-21-10-6-17(7-11-21)14-31-15-23-22(27-16-28-23)13-24(31)26-29-25(30-33-26)20-9-8-18-4-2-3-5-19(18)12-20/h2-12,16,24H,13-15H2,1H3,(H,27,28)/t24-/m0/s1.
What are the key properties of 5-[(6S)-5-[(4-methoxyphenyl)methyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-6-yl]-3-naphthalen-2-yl-1,2,4-oxadiazole?
5-[(6S)-5-[(4-methoxyphenyl)methyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-6-yl]-3-naphthalen-2-yl-1,2,4-oxadiazole has a molecular weight of 437.50 g/mol, XLogP of 4.92, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(6S)-5-[(4-methoxyphenyl)methyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-6-yl]-3-naphthalen-2-yl-1,2,4-oxadiazole is sourced from PubChem (CID 26744888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).