5-[(1R,3R)-3-[5-(5-fluoro-2-pyridinyl)-1H-imidazol-2-yl]-1-(1H-pyrazol-4-yl)-2,3,4,9-tetrahydropyrido[3,4-b]indol-1-yl]-3-methyl-1,3,4-oxadiazol-2-one

C25H20FN9O2 — CID 122179473

IUPAC5-[(1R,3R)-3-[5-(5-fluoro-2-pyridinyl)-1H-imidazol-2-yl]-1-(1H-pyrazol-4-yl)-2,3,4,9-tetrahydropyrido[3,4-b]indol-1-yl]-3-methyl-1,3,4-oxadiazol-2-one
SMILESCn1nc([C@]2(c3cn[nH]c3)N[C@@H](c3ncc(-c4ccc(F)cn4)[nH]3)Cc3c2[nH]c2ccccc32)oc1=O
InChIInChI=1S/C25H20FN9O2/c1-35-24(36)37-23(34-35)25(13-9-29-30-10-13)21-16(15-4-2-3-5-17(15)31-21)8-19(33-25)22-28-12-20(32-22)18-7-6-14(26)11-27-18/h2-7,9-12,19,31,33H,8H2,1H3,(H,28,32)(H,29,30)/t19-,25-/m1/s1
InChIKeyZEDXJQGDBRTMRE-KBMIEXCESA-N
MW497.49 g/mol
LogP2.68
Rot. Bonds4

About 5-[(1R,3R)-3-[5-(5-fluoro-2-pyridinyl)-1H-imidazol-2-yl]-1-(1H-pyrazol-4-yl)-2,3,4,9-tetrahydropyrido[3,4-b]indol-1-yl]-3-methyl-1,3,4-oxadiazol-2-one

5-[(1R,3R)-3-[5-(5-fluoro-2-pyridinyl)-1H-imidazol-2-yl]-1-(1H-pyrazol-4-yl)-2,3,4,9-tetrahydropyrido[3,4-b]indol-1-yl]-3-methyl-1,3,4-oxadiazol-2-one (PubChem CID 122179473) has the molecular formula C25H20FN9O2 and a molecular weight of 497.49 g/mol. Its IUPAC name is 5-[(1R,3R)-3-[5-(5-fluoro-2-pyridinyl)-1H-imidazol-2-yl]-1-(1H-pyrazol-4-yl)-2,3,4,9-tetrahydropyrido[3,4-b]indol-1-yl]-3-methyl-1,3,4-oxadiazol-2-one.

Molecular Properties

Compound Name5-[(1R,3R)-3-[5-(5-fluoro-2-pyridinyl)-1H-imidazol-2-yl]-1-(1H-pyrazol-4-yl)-2,3,4,9-tetrahydropyrido[3,4-b]indol-1-yl]-3-methyl-1,3,4-oxadiazol-2-one
PubChem CID122179473
Molecular FormulaC25H20FN9O2
Molecular Weight497.49 g/mol
Exact Mass497.17
IUPAC Name5-[(1R,3R)-3-[5-(5-fluoro-2-pyridinyl)-1H-imidazol-2-yl]-1-(1H-pyrazol-4-yl)-2,3,4,9-tetrahydropyrido[3,4-b]indol-1-yl]-3-methyl-1,3,4-oxadiazol-2-one
SMILESCn1nc([C@]2(c3cn[nH]c3)N[C@@H](c3ncc(-c4ccc(F)cn4)[nH]3)Cc3c2[nH]c2ccccc32)oc1=O
InChIInChI=1S/C25H20FN9O2/c1-35-24(36)37-23(34-35)25(13-9-29-30-10-13)21-16(15-4-2-3-5-17(15)31-21)8-19(33-25)22-28-12-20(32-22)18-7-6-14(26)11-27-18/h2-7,9-12,19,31,33H,8H2,1H3,(H,28,32)(H,29,30)/t19-,25-/m1/s1
InChIKeyZEDXJQGDBRTMRE-KBMIEXCESA-N
XLogP2.68
TPSA146.10 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms37
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500497.49
LogP ≤ 52.68
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Analyze 5-[(1R,3R)-3-[5-(5-fluoro-2-pyridinyl)-1H-imidazol-2-yl]-1-(1H-pyrazol-4-yl)-2,3,4,9-tetrahydropyrido[3,4-b]indol-1-yl]-3-methyl-1,3,4-oxadiazol-2-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-[(1R,3R)-3-[5-(5-fluoro-2-pyridinyl)-1H-imidazol-2-yl]-1-(1H-pyrazol-4-yl)-2,3,4,9-tetrahydropyrido[3,4-b]indol-1-yl]-3-methyl-1,3,4-oxadiazol-2-one?
The IUPAC name of 5-[(1R,3R)-3-[5-(5-fluoro-2-pyridinyl)-1H-imidazol-2-yl]-1-(1H-pyrazol-4-yl)-2,3,4,9-tetrahydropyrido[3,4-b]indol-1-yl]-3-methyl-1,3,4-oxadiazol-2-one (CID 122179473) is 5-[(1R,3R)-3-[5-(5-fluoro-2-pyridinyl)-1H-imidazol-2-yl]-1-(1H-pyrazol-4-yl)-2,3,4,9-tetrahydropyrido[3,4-b]indol-1-yl]-3-methyl-1,3,4-oxadiazol-2-one.
What is the SMILES notation for 5-[(1R,3R)-3-[5-(5-fluoro-2-pyridinyl)-1H-imidazol-2-yl]-1-(1H-pyrazol-4-yl)-2,3,4,9-tetrahydropyrido[3,4-b]indol-1-yl]-3-methyl-1,3,4-oxadiazol-2-one?
The canonical SMILES for 5-[(1R,3R)-3-[5-(5-fluoro-2-pyridinyl)-1H-imidazol-2-yl]-1-(1H-pyrazol-4-yl)-2,3,4,9-tetrahydropyrido[3,4-b]indol-1-yl]-3-methyl-1,3,4-oxadiazol-2-one is Cn1nc([C@]2(c3cn[nH]c3)N[C@@H](c3ncc(-c4ccc(F)cn4)[nH]3)Cc3c2[nH]c2ccccc32)oc1=O.
What is the InChIKey of 5-[(1R,3R)-3-[5-(5-fluoro-2-pyridinyl)-1H-imidazol-2-yl]-1-(1H-pyrazol-4-yl)-2,3,4,9-tetrahydropyrido[3,4-b]indol-1-yl]-3-methyl-1,3,4-oxadiazol-2-one?
The InChIKey is ZEDXJQGDBRTMRE-KBMIEXCESA-N. The full InChI is InChI=1S/C25H20FN9O2/c1-35-24(36)37-23(34-35)25(13-9-29-30-10-13)21-16(15-4-2-3-5-17(15)31-21)8-19(33-25)22-28-12-20(32-22)18-7-6-14(26)11-27-18/h2-7,9-12,19,31,33H,8H2,1H3,(H,28,32)(H,29,30)/t19-,25-/m1/s1.
What are the key properties of 5-[(1R,3R)-3-[5-(5-fluoro-2-pyridinyl)-1H-imidazol-2-yl]-1-(1H-pyrazol-4-yl)-2,3,4,9-tetrahydropyrido[3,4-b]indol-1-yl]-3-methyl-1,3,4-oxadiazol-2-one?
5-[(1R,3R)-3-[5-(5-fluoro-2-pyridinyl)-1H-imidazol-2-yl]-1-(1H-pyrazol-4-yl)-2,3,4,9-tetrahydropyrido[3,4-b]indol-1-yl]-3-methyl-1,3,4-oxadiazol-2-one has a molecular weight of 497.49 g/mol, XLogP of 2.68, 4 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(1R,3R)-3-[5-(5-fluoro-2-pyridinyl)-1H-imidazol-2-yl]-1-(1H-pyrazol-4-yl)-2,3,4,9-tetrahydropyrido[3,4-b]indol-1-yl]-3-methyl-1,3,4-oxadiazol-2-one is sourced from PubChem (CID 122179473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).